Acta Crystallographica Section A
Acta Crystallographica
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FOUNDATIONS
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Volume 68| Part a1

ISSN: 2053-2733

August 2012 issue

Abstracts of the 27th European Crystallography Meeting

Bergen, Norway, 7-11 August 2012

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abstracts

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Quasi-periodic materials discovery – the role of TEM

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Regulation of ArfGTPases in cellular traffic

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Structure solution from powder diffraction: new developments, applications and avenues

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Phase homology and structural prediction in extended series of inorganic bi-based compounds

O. Mentré, D. Endara, A. Aliev, M. Colmont and M. Huvé

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Towards routine structure solution using precession electron diffraction

P. A. Midgley and A. S. Eggeman

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Femtosecond protein nanocrystallography with an X-ray free-electron laser

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Absolute structure determination

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Listeria monocytogenes Lmo0818 – exploring a putative Ca²⁺-ATPase, to understand calcium ion specificity

K. L. Hein and J. P. Morth

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Time-resolved crystallographic processes in molecular systems

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Minerals and materials at high pressures: the challenges of complexity

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Towards the unification of intermolecular forces: the hydrogen bond as a charge-transfer interaction

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Combining crystallography and electron microscopy for virus structure determinations

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Picometer electron microscopy

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Extending the reach of molecular replacement

R. J. Read, A. J. McCoy, G. Bunkóczi and R. D. Oeffner

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Charge densities and crystal engineering

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Metal–organic frameworks: synthesis and applications

N. R. Champness

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Computational crystallography

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Producing stable membrane protein for structural studies

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Record resolution protein crystals using an efficient convection-free growth geometry

E. Vlieg, A. Adawy, E. Rebuffet, S. Törnroth-Horsefield, W. de Grip and W. van Enckevort

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Latest methods to grow and prepare micro- and nano-crystals for future free-electron laser and synchrotron radiation sources

C. Betzel, A. Meyer, K. Dierks, H. Einspahr, R. Hilgenfeld, L. Redecke, M. Duszensko and H. Chapman

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Smart materials for protein crystallization

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High-pressure freezing of macromolecular crystals

A. Burkhardt, M. Warmer, A. Wagner, S. Panneerselvam, A. Zouni, C. Glöckner, J. Ren, E. E. Fry, D. I. Stuart, R. Reimer, H. Hohenberg and A. Meents

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Visualising rapid structural changes in photosynthetic reaction centres with XFEL radiation

D. Arnlund, L. Johansson, G. Katona, E. Malmerberg, J. Davidsson, A. Barty, I. Schlichting, S. Boutet, P. Fromme, J. Spence, H. Chapman and R. Neutze

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Five-dimensional crystallography

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Taking snapshots of photosynthetic water oxidation: towards time-resolved X-ray spectroscopy and crystallography

J. Yano, J. Kern, R. Tran, R. Alonso-Mori, U. Bergmann and V. Yachandra

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Improvement of the diffraction quality of macromolecular crystals at European synchrotrons using the HC1 dehydration control device

U. Mueller, M. S. Weiss, J. Sanchez-Weatherby, T.L.-M. Sorensen, M. Thunnissen, T. Ursby, A. Gobbo, S. R. Russi, M. W. Bowler and F. Cipriani

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Humidity-controlled protein powder diffraction, application on an urchin-like polycrystal of the Mayaro virus nsp3 macrodomain

Y. Watier, N. Papageorgiou, B. Coutard, V. Lantez, E. A. Gould, A. N. Fitch, J. P. Wright, B. Canard and I. Margiolaki

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Extracting the maximum data from your samples – advanced sample evaluation at the ESRF

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The battle of signal versus noise, and how to tip the balance in your favor

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Getting the best data using photon-counting pixel detectors

M. Mueller, M. Wang and C. Schulze-Briese

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ISW1a crystal resolution improvements through packing engineering

K. Yamada, D. F. Sargent and T. J. Richmond

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Clustering procedures for the optimal selection of data sets from multiple crystals in macromolecular crystallography

J. Foadi, P. Aller, D. Axford, R. Owen, Y. Alguel, A. Cameron, W. Armour, D. Waterman and G. Evans

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Molecular replacement and model-building using distant homology models as templates

T. C. Terwilliger, F. DiMaio, R. J. Read, D. Baker, A. T. Brunger and P. D. Adams

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Classical-style MAD phasing with wavelength interleaving and kappa goniometry on PROXIMA-1

G. Bricogne, C. Vonrhein, P. Keller, A. Thompson, P. Legrand, C. Cambillau, S. Spinelli, S. Antonyuk, M. Pastok and P. Elliott

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The Nautilus software for automated nucleic acid model building

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A novel function for the combination of SAD phasing, density modification and refinement

P. Skubak and N. Pannu

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Zinc-binding to protein surface and its application to phase determination

S.-S. Cha, Y. J. An, C.-S. Jeong, M.-K. Kim and S. Lee

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Better ligand representation in BUSTER protein–complex structure determination

O. S. Smart, A. Sharff, C. Flensburg, P. Keller, W. Paciorek, C. Vonrhein, T. O. Womack and G. Bricogne

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Ensemble refinement of protein crystal structures in PHENIX

T. B. Burnley and P. Gros

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Use of the Crystallography Open Database as a source of prior knowledge for molecular modelling

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Automated identification of ligands in macromolecular electron-density maps

C. Carolan and V. Lamzin

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New features and improvements in carbohydrate three-dimensional structure validation

T. Lütteke, D. Mokros, R. P. Joosten, A. Dominik and G. Vriend

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Applying bioinformatics to improve models for molecular replacement

G. Bunkóczi and R. J. Read

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Bioinformatics at OPPF-UK

J. Diprose, R. Esnouf, C. Morris, R. Owens and D. Stuart

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PDB_REDO: from bioinformatics data bank to crystallographic tool

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Structural bioinformatics incorporated into ARP/wARP model building

T. Wiegels, M. Biasini, T. Schwede and V. Lamzin

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Perspectives on structure-based drug design – a changing landscape

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Fungal ribosomal proteins trace evolution from bacteria to metazoa and archaea

W. L. Duax, B. Kelly, A. Merriman and I. Xu

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A structure-based approach to selective PI3Kbeta inihibition

T. Bertrand, J.-P. Marquette, A. Karlsson, N. Michot, A. Virone-Oddos and F. Halley

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Starting small and getting bigger: from molecular probes to fragments and leads

A. Heine, J. Behnen, H. Köster, T. Craan, S. Brass and G. Klebe

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Enzyme inhibitors as tuberculosis drugs – a structure guided approach

S. Munack, K. Roderer, J. Kamarauskaite, A. van Eerde, P. Kast and U. Krengel

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Discovery of novel allosteric inhibitors of HCV NS3/4a enzyme via structure-based drug design

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Femtosecond nanocrystallography of membrane proteins opens a new era for structural biology

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Membrane transporters and bilayers studied by X-ray crystallography

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The structure of the human histamine H1 receptor

S. Weyand, T. Shimamura, M. Shiroshi, H. Tsujimoto, G. Winter, V. Katritch, R. Abagyan, V. Cherezov, W. Liu, G. W. Han, T. Kobayashi, R. C. Stevens and S. Iwata

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Serial femtosecond crystallography using crystals grown in lipidic-sponge phases

L. C. Johansson, D. Arnlund, G. Katona, E. Malmerberg, P. Fromme, H. N. Chapman and R. Neutze

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The structure of a sodium pumping pyrophosphatase: clues to catalytic mechanism

J. A. T. Kellosalo, T. Kajander, K. Kogan, K. Pokharel and A. Goldman

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Packaging of the membrane-containing thermophilic virus STIV2

S. J. Butcher, L. J. Happonen, E. Oksanen, L. Liljeroos, A. G. Goldman and T. Kajander

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Fatty acid synthase: insights in the substrate shuttling mechanism by cryo-EM

J. Vonck, P. Gipson, L. Ciccarelli, D. J. Mills, S. Connell, R. Wouts, M. Grininger and W. Kühlbrandt

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Modularity and conformational changes as key features of the complement system

F. Forneris, M. A. Hadders, J. Wu and P. Gros

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Malarial vitamin B6 biosynthesis

I. Tews, G. Guédez, V. Windeisen, I. Sinning, K. Hipp, B. Böttcher, M. Gengenbacher, B. Derrer and B. Kappes

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Type Ve secretion: a novel autotransport mechanism

J. C. Leo, P. Oberhettinger, M. Schütz, I. B. Autenrieth and D. Linke

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The architecture of the muscle filament myomesin by hybrid structural biology

M. Wilmanns, P. Konarev, D. Svergun, G. Zoldak, M. Rief, F. Beuron, E. Morris and S. Chatziefthimiou

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Factor H ligand complexes – structural studies on complement regulation and disease

T. Kajander, M. Lehtinen, S. Hyvärinen, A. Bhattacharjee, T. Meri, R. Kolodziejczyk, S. Meri, S. Jokiranta and A. Goldman

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Fucose binding lectins from opportunistic pathogens and blood group antigens

A. Varrot, A. Audfray, J. Houser, O. Sulak, G. Cioci, M. Lahmann, A. Imberty and M. Wimmerova

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Crystal structure of human lysosome-associated membrane protein 3 (LAMP-3)

S. Wilke, J. Krausze and K. Büssow

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Phenylalanine hydroxylase from Legionella pneumophila: a thermostable dimer

M. I. Flydal, H.-K.S. Leiros, N. Cianciotto and A. Martinez

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Advances in bacterial cell-wall remodeling enzymes. Implications in virulence and antibiotics resistance

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Serial femtosecond crystallography provides new approaches to structural enzymology

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Reaction mechanism of chorismate mutase, a model enzyme for pericyclic reactions, finally resolved

D. Burschowsky, A. van Eerde, M. Ökvist, A. Kienhöfer, P. Kast, D. Hilvert and U. Krengel

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Human DOPA decarboxylase: structural snapshots of PLP binding

F. Cutruzzola, G. Giardina, R. Montioli, S. Gianni, B. Cellini, A. Paiardini and C. Borri-Voltattorni

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Structural insights into enzyme catalysis of sulfate reduction in Desulfovibrio gigas

C.-J. Chen, Y.-C. Hsieh and S. I. Chan

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Structural basis of signal peptide recognition by the signal recognition particle

E. Sauer-Eriksson, S. Huang, G. Meriläinen, K. Brännström and T. Hainzl

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Structural determinants for the specific recognition of algal cell wall polysaccharides: examples of agarases and alginate lyases

M. Czjzek, F. Thomas, E. Rebuffet, J.-H. Hehemann, M. Jam, G. Correc, T. Barbeyron and G. Michel

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Structure of the Hsp47–collagen complex

U. Baumann, C. Widmer and J. Gebauer

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Mapping conformational changes of the transcription factor AraR

C. S. Silva, D. de Sanctis, M. I. Correia, M. Petoukhov, D. Svergun, P. F. Lindley, I. de Sá-Nogueira and I. Bento

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Molecular basis of cholera blood group dependence

J. E. Heggelund, E. Haugen, B. Lygren, A. Mackenzie, A. Holmner, F. Vasile, J. Reina, A. Bernardi and U. Krengel

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Local structure investigation of clean energy materials through pair distribution function analysis

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Characterization of hydrogen storage materials both at the laboratory level and at the scale for prototype tanks

M. Dornheim, J. B. von Colbe, J. Jepsen, G. Lozano, C. Pistidda, F. Karimi, C. B. Minella, R. Gosalawit, I. Saldan, K. Taube and T. Klassen

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Investigating repeated gas adsorption in zeolites for solar cooling applications

M. Milanesio, L. Palin, D. Viterbo, W. van Beek, D. Chernyshov, A. Urakawa and R. Caliandro

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Changing properties of hydrogen storage materials by halide substitution

H. Grove, L. H. Rude, T. R. Jensen, M. H. Sørby and B. C. Hauback

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In situ XRPD studies of Li intercalation in graphite in working Li-ion batteries

R. E. Johnsen and P. Norby

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An eye on the inside: imaging of catalytic particles under reaction conditions

A. M. Beale, S. D. M. Jacques, M. G. O'Brien, M. Di Michiel and B. M. Weckhuysen

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Operando characterization of lithium battery electrode materials

G. Ouvrard, M. Zerrouki, C. Masquelier, M. Morcrette, S. Hamelet and S. Belin

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Watching the MTO process with time- and space-resolved X-ray diffraction

D. S. Wragg, M. G. O'Brien, F. Bleken, U. Olsbye, M. Di Michiel and H. Fjellvåg

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In situ diffraction determination of the structural response of GaAsO₄ submitted to an applied electric field

P. Fertey, P. Allé, E. Wenger, B. Dinkespiler and C. Lecomte

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Diffusion processes in (GeTe)_n(Sb₂Te₃) (4 < n < 12) crystals investigated by synchrotron radiation

P. Urban, M. N. Schneider, J. Wright, X. Biquard, S. Welzmiller, F. Fahrnbauer and O. Oeckler

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Mullite-type dibismuth-nonaoxometallates(III): the effects of strontium doping

Th. M. Gesing, M. Schowalter, C. Weidenthaler, M. M. Murshed, G. Nénert, C. B. Mendive, M. Curti, A. Rosenauer, H. Schneider and R. X. Fischer

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From simple O(Bi,M)₄ entities to the large family of bismuth-based oxyphosphate compounds: use of high-resolution electron microscopy imaging to the deduction of new structure types

M. Colmont, D. Endara, A. Aliev, M. Huvé and O. Mentre

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From calcite to the first natural hexaniobate or 350 years of mineral science

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Crystallography of shadows: local disorder in intermetallic compounds

Y. Grin, Y. Prots and H. Borrmann

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Light-emitting lanthanide-based organic–inorganic hybrids

S. García-Granda, Z. Amghouz, J. R. García, R. Valiente, R. A. S. Ferreira, L. Mafra, L. D. Carlos, J. Rocha and A. Clearfield

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Negative linear compressibility and complex high-P structure in Zn[Au(CN)₂]₂

J. Haines, J. Catafesta, A. Cairns, J. Rouquette, C. Levelut, A. Goodwin, A. van der Lee and V. Dmitriev

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Exotic unmixing processes in columbite–tapiolite minerals from the Nordic countries

S. C. Tarantino and M. Zema

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Substituted Ge–Sb–Te materials: structure, element distribution and thermoelectric properties

S. Welzmiller, T. Rosenthal, T. Schröder, P. Urban, F. Fahrnbauer, C. Stiewe and O. Oeckler

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A pair distribution function study of lead-free piezoelectrics

D. S. Keeble, E. R. Barney, D. A. Keen, M. G. Tucker, J. Kreisel and P. A. Thomas

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M_mH_n(XO₄)_(m+n)/2 crystals: structure, phase transitions, hydrogen bonds, conductivity

I. Makarova, T. Chernaya, I. Verin, V. Grebenev and V. Dolbinina

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New opportunities with the large-volume device at ID06, ESRF

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The large-volume press beamline at the extension of PETRA

N. Nishiyama, T. Katsura, W. Drube, E. Weckert and H.-P. Liemann

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Single-crystal neutron diffraction 10 GPa and beyond

C. L. Bull, J. S. Loveday, R. J. Nelmes, H. Hamidov, M. Guthrie, K. Komatsu, M. Gutmann and M. T. Fernandez-Diaz

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New scientific opportunities with next-generation portable large-volume high-P/T/stress/tomography cells

Y. Le Godec, M. Álvarez-Murga, G. Bromiley, S. Klotz, M. Mezouar, J. P. Perrillat, J. Philippe, S. A. T. Redfern and V. L. Solozhenko

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Discovery of novel post-perovskites by high-pressure methods

M. Bremholm, S. E. Dutton, P. W. Stephens and R. J. Cava

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Electron properties of pharmaceutical molecules

N. E. Ghermani, N. El Hassan, J.-M. Gillet, N. Guiblin and A. Spasojevic-de Biré

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Charge density analysis of macromolecules: case studies of small protein and DNA fragment

M. Kubicki, M. Jaskólski and S. Krzywda

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Experimental charge density analysis of the nature of C—Br⋯N=C interactions in biologically active compound

M. Malinska, W. Pribe and K. Wozniak

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Electronic structure of tetrakis(μ₂-acetato)-diaquadichromium(II) complex, [C₈H₁₆Cr₂O₁₀]

J. Kozisek, P. Herich, M. Fronc and M. Gall

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Topological analysis of hydrogen-bonds and weak interactions in protein helices

D. Liebschner, C. Jelsch, E. Espinosa, C. Lecomte, E. Chabrière and B. Guillot

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Ab initio lattice dynamics of molecular crystals and related properties with the CRYSTAL code

B. Civalleri, A. Erba, M. Ferrabone and E. Albanese

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Synchrotron radiation and extremely low temperatures, best conditions for charge density work

P. Luger and M. Weber

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Resolution-dependent scaling – a solution for problems in a multipole refinement?

R. Herbst-Irmer

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Interrelations between crystal architecture, charge density and energy of uracil derivatives

K. N. Jarzembska, R. Kamiński, K. Woźniak and P. M. Dominiak

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Tiny diamond anvil cell for high-pressure crystallography at low temperature

K. Kamenev, G. Giriat, C. Cameron, S. Moggach and S. Parsons

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Crystal structure determination using automated electron diffraction tomography

P. Oleynikov, Y. Ma, K. B. Yoon and O. Terasaki

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Solving structures of sub-micron crystals by rotation electron diffraction

S. Hovmöller, X. Zou, Y. Yun, W. Wei and F. Rabbani

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Structure refinement against precession electron diffraction data

L. Palatinus, M. Klementova, D. Jacob, P. Cuvillier, W. Sinkler and L. Marks

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New electron diffraction rotation methods

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The structure of nano-twinned rhombohedric YCuO_2.66 solved by electron crystallography

H. Klein, V. O. Garlea, C. Darie and P. Bordet

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Modulations and short-range order in perovskites with lone pair A-cations

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Modulated structure and magnetic order in MOCl (M = Ti, V, Cr, Fe) at low temperatures

A. Schönleber, J. Zhang, S. van Smaalen and A. Senyshyn

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Complex ordering in metal–organic frameworks

O. Pérez, F. Porcher, J. Jaud and J.-M. Rueff

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Diffuse scattering resulting from macromolecular frustration

T. R. Welberry, A. P. Heerdegen and P. D. Carr

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Structural characteristics of complex intermetallics

J. Dshemuchadse and W. Steurer

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Structural and magnetic ordering in Cd-based crystalline approximants

R. Tamura and C. P. Gomez

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Diffuse scattering and phason modes in the Zn–Sc binary icosahedral quasicrystal

M. de Boissieu, T. Yamada, H. Euchner, C. P. Gómez and R. Tamura

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The physical space approach to the structure refinement of decagonal quasicrystals. Are three dimensions enough?

P. Kuczera, J. Wolny and W. Steurer

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Structure analysis of decagonal ZnMgDy quasicrystal

T. Örs and W. Steurer

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Multi-shell nanoclusters with the γ-brass polyhedral core in intermetallics

A. A. Pankova, V. A. Blatov, G. D. Ilyushin and D. M. Proserpio

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Intermolecular halogen⋯halogen contacts in crystals with heteroatomic halogens

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Ten polymorphs of NH⋯N bonded DABCO hydroiodide - and even more!

A. Olejniczak and A. Katrusiak

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Application of the PIXEL method to transition metal complexes

A. G. P. Maloney, S. Parsons and P. A. Wood

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Fluorine substituents disturb the aggregation of molecules

V. Vasylyeva and K. Merz

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Structural relationships between chiral and racemic cocrystals

L. Fábián, S. E. Lawrence and A. R. Maguire

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The structure of hydrophobic hydration

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Trekking on hills and valleys in the polymorph landscape of TPB

A. Bacchi, D. Crocco and A. Girlando

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Chiral discrimination in the solid state by using the Dutch resolution method

N. B. Báthori and L. R. Nassimbeni

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An entire class of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases

R. Centore, M. Jazbinsek, A. Tuzi, A. Peluso and A. Capobianco

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High-pressure/low-temperature polymorphism in simple aromatic systems

J. Ridout and M. R. Probert

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Hybrid salt cocrystals and exotic stoichiometries in host–guest compounds: troubles in nomenclature!

G. Coquerel and S. Petit

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Value and perspectives of multicomponent crystals in pharmaceutical development

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Covalent assistance to supramolecular synthesis: the use of hydrogen-bonding modifying groups to control the assembly of co-crystals

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Predictable supramolecular motifs in cocrystals of (thio)urea with Ph₄P⁺ halides

F. Topić and K. Rissanen

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Crystallization and co-crystallization of Zn^II heteroleptic complexes: modulation of properties

A. Crispini, D. Pucci, E. Szerb, T. Mastropietro, A. M. Talarico, B. Sanz and M. Ghedini

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Porous molecular crystals based on halogen and hydrogen bonds

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Porous crystalline materials from discrete organic molecules

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Thermo and solvatochromic coordination frameworks with 4-(pyridin-4-yl)benzoic acid

G. Ramon, G. Mehlana and S. A. Bourne

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Get more for your porous system: heats of adsorption from powder diffraction data

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GPa pressure modification of a scandium microporous metal–organic framework (MOF)

S. A. Moggach, A. J. Graham, S. McKellar, J. Mowat and P. A. Wright

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The trans-influence of the boryl ligand in square-planar platinum(II) complexes

P. Brenner and H. Braunschweig

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Ethylene tetramerisation: link between catalyst precursor structure and catalysis

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Four-site cooperative spin crossover in polymorphs of a mononuclear Fe^II complex

A. D. Bond, A. Lennartson, S. Piligkos and C. J. McKenzie

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Synthesis and crystal structure of few new decavanadates

W. Łasocha, A. Szymańska, W. Nitek and A. Rafalska-Łasocha

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Crystallographic and kinetic investigation of nitrosyl, cyanide and acetonitrile complexes of Rh^I/III

T. J. Muller, H. G. Visser and A. Roodt

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Statistics package R for prototyping in macromolecular crystallography

G. N. Murshudov

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R as a tool to check data quality in the context of low-resolution crystallography

M. W. Baumstark

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Implementation of a B-factor validation protocol for macromolecular structures

F. Dall'Antonia, J. Negroni, G. N. Murshudov and T. R. Schneider

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Atomic shifts in unrestrained refinement can indicate alternative conformations

O. V. Sobolev and V. Y. Lunin

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Better data – proper redundancy

M. Wedel and H. Borrmann

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Discover the cosmos of reciprocal space – twins as a routine case?

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Twin refinement with JANA2006: from polytypism to modulated phases

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Oligo-diffractometry using EVAL15

M. Lutz and L. M. J. Kroon-Batenburg

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Twin samples with CrysAlisPro: experiments, unit-cell finding, data reduction and post corrections

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How to apply to the EC Framework Programs: opportunities for young scientists

S. García-Granda, J. Álvarez and A. Hörlein

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Facilities for handling twins in CRYSTALS

S. Parsons and R. I. Cooper

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How to present results in scientific articles

J. R. Helliwell

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Il buono, il brutto, il cattivo – strategies for better lectures

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How to survive in academia

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How to ensure the future of crystallography – a teaching perspective

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Solid-form design of pharmaceutical products

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Improving the quality of protein–ligand complex structures

C. Vonrhein, O. S. Smart, A. Sharff, C. Flensburg, P. Keller, W. Paciorek, T. O. Womack and G. Bricogne

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Conformational bias in small-molecule crystal structures is rare (and explicable)

A. J. Cruz-Cabeza, J. W. Liebeschuetz and F. H. Allen

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PDBe – bringing structure to biology

S. Velankar and G. J. Kleywegt

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250 structures later – friendly relationships in a compound family

L. S. Coles, T. L. Threlfall and M. B. Hursthouse

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Protein neutron crystallography with 'tiny' crystals of fully deuterated proteins

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Determining protonation states in proteins using high-resolution X-ray crystallography

S. J. Fisher, M. P. Blakeley, M. Cianci, S. McSweeney and J. R. Helliwell

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Surprising protonation states in urate oxidase – combining X-ray and neutron crystallography with QM/MM

E. Oksanen, M. P. Blakeley, M. El-Hajji, U. Ryde, B. Castro and M. Budayova-Spano

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A joint neutron/X-ray crystallographic study on the mechanism of pectate lyase

S. Ali, M. Blakeley, C. R. Søndergaard, E. Pellegrini, S. C. M. Teixeira and R. W. Pickersgill

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Neutrons on the loose: tracking down weaknesses in the hydrogen network of transthyretin

M. Haupt, M. P. Blakeley, S. Fisher, S. A. Mason, J. B. Cooper, E. P. Mitchell and V. T. Forsyth

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Barium-IVc: a truly complex elemental crystal structure

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Accessing disorder in single crystals by means of three-dimensional PDF analysis

A. Simonov, T. Weber and W. Steurer

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Low melting point of alkali metals under pressure: electronic origin

V. F. Degtyareva

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Ternary metastable rock salt-type tellurides

O. Oeckler, T. Schröder, T. Rosenthal, S. Schwarzmüller, C. Petermayer, D. Souchay and S. Grott

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Structural origin of the ferroelectric fatigue in lead zirconate titanate (PZT)

J. Rouquette, M. Hinterstein, J. Haines, Ph. Papet, M. Knap, J. Glaum and H. Fuess

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Model of short-range order in 5,6-dichloroquinolino-5,8-dione organic compound

M. Zubko, J. Kusz, M. Jastrzębska, S. Boryczka and M. Kadela

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Giant improper ferroelectricity in the ferroaxial magnet CaMn₇O₁₂

R. D. Johnson, L. C. Chapon, D. D. Khalyavin, P. Manuel, P. G. Radaelli and C. Martin

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Depoling studies of lead-free Na_1/2Bi_1/2TiO₃–K_1/2Bi_1/2TiO₃ piezoelectric ceramics

D. I. Woodward, D. Walker, P. A. Thomas, R. Dittmer, W. Jo and J. Rödel

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Symmetry-adapted analysis of the magnetic and structural phase diagram of Bi_1−xY_xCrO₃

C. V. Colin, P. Bordet, C. Goujon and C. Darie

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Observation of low-symmetry phase in Na_0.5Bi_0.5TiO₃ by optical birefringence microscopy

S. Gorfman, M. Glazer and P. Thomas

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Inelastic X-ray scattering: phonon spectroscopy under the extreme conditions

A. Bosak and M. Krisch

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Borates under extreme conditions

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Pressure-induced structural and related electronic transitions in CaFe₂O₄ and Fe₂O₃

E. Greenberg, G. Kh. Rozenberg, W. Xu, M. P. Pasternak, L. S. Dubrovinsky and C. McCammon

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High-pressure diamond anvil cell studies of carbon monoxide – viscosity, photochemical polymerization and laser heating

N. Rademacher, L. Bayarjargal, W. Morgenroth, J. Ciezak-Jenkins and B. Winkler

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Structure determination of intermetallics using precession electron diffraction

L. Meshi and S. Samuha

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High-pressure research using dynamic compression at the European XFEL

T. Tschentscher, T. E. Cowan and H.-P. Liermann

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Electron crystallography on porous materials

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Structure investigation of nanocrystalline small-molecule organics and MOF by ADT and simulated annealing

E. Mugnaioli, U. Kolb, G. L. Cascarano and C. Cuocci

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'Digital' electron diffraction

D. I. Woodward, P. J. Thomas, P. A. Thomas, R. A. Römer and R. Beanland

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Diffraction studies on displacive transitions in copper-based shape memory alloys

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Different approaches to solving and refining inorganic structures from electron diffraction

J. Hadermann, S. Van Rompaey and A. M. Abakumov

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Crystal structure study for nano-sized zeolites with rotation electron diffraction

H. Chen, L. Liu, W. Wan and J. Sun

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Solving three-dimensional structures of nano- and intergrown porous silicates by combining electron crystallography and powder X-ray diffraction

X. Zou, T. Willhammar, W. Wan, J. Sun and P. Oleynikov

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Vaterite structure from electron diffraction data – a definitive answer for an old question?

I. Andrusenko, E. Mugnaioli, R. E. Dinnebier, M. Panthöfer, W. Tremel and U. Kolb

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Precession coupled orientation/phase mapping on nanomaterials with TEM Cs microscopes

S. Nicolopoulos, D. Bultreys and E. Rauch

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The interplay between X-ray powder and electron diffraction: the case of experimental petrology

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Electron microscopy as seen through the eyes of a powder diffractionist

L. B. McCusker and C. Baerlocher

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SU-66: combining X-ray powder diffraction, electron diffraction and IR spectroscopy

A. K. Inge, T. Willhammar, L. B. McCusker and X. Zou

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Study of titanate nanotubes by X-ray and electron diffraction and electron microscopy

T. Brunatova, D. Kralova, W. Wan, P. Oleynikov, M. Slouf, S. Danis, X. Zou and R. Kuzel

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Electron diffraction structure analysis of organic nano-sized crystals

U. Kolb and T. E. Gorelik

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Towards the computation-led design of porous molecular crystals

G. M. Day, E. O. Pyzer-Knapp, T. G. Cooper, K. E. Jelfs and A. I. Cooper

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Crystal structure prediction of pyridine with four molecules in the asymmetric unit

J. van de Streek

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A novel approach to crystal structure determination for organic compounds

M. D. Eddleston, K. E. Hejczyk, E. G. Bithell, G. M. Day and W. Jones

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A computational investigation of the polymorphophore concept

O. G. Uzoh, A. J. Cruz-Cabeza and S. L. Price

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Implications of conformational heterogeneity in protein crystals: from interatomic distance measurements to entropy estimation

A. Kuzmanic, A. A. Polyansky, R. Zubac, M. Hlevnjak, D. Kruschel, W. F. van Gunsteren, N. S. Pannu and B. Zagrovic

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QUANTUMCRYSCA: a new approach for the prediction of molecular crystal structures by a crystallographic QM-MM shell model

P. Mörschel and M. U. Schmidt

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EVAL15 as a tool for studying crystal properties in detail: dynamic and static disorder

L. M. Kroon-Batenburg, E. Stronks, A. M. M. Schreurs and M. Lutz

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Bananas, pears and other fruitful discussions: modelling atomic motions in molecules

C. A. Morrison, A. M. Reilly, D. W. H. Rankin and K. R. McLean

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Entropies from diffraction experiments: towards polymorph prediction

A. Ø. Madsen, N. Wahlberg, H. Hope and S. Larsen

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X-ray diffraction and spectroscopic study of selected complexes of amino acids with carboxylic acids at high pressures and low temperatures

B. Zakharov, B. Kolesov, E. Losev and E. Boldyreva

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When small-molecule data are lacking resolution

M. Dušek, V. Petříček and K. Fejfarová

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Small-molecule crystallography on macromolecular biology beam line at the ESRF

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Finally: the crystal structure of L-tryptophan

C. H. Görbitz, K. W. Törnroos and G. M. Day

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Crystallization of bacterioferritin from Blastochloris viridis

W. Y. Wahlgren, H. Omran, D. von Stetten, A. Royant, S. van der Post and G. Katona

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Host–guest interactions in cyclodextrin inclusion complexes at extreme conditions

F. P. A. Fabbiani, G. Buth, R. Granero García, F. J. Lahoz, C. Paulmann and S. Saouane

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When small molecules get large – a journey into the unknown

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Solution and solid-state supramolecular chemistry of naphthalenediimides

G. D. Pantos and J. K. M. Sanders

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Low-valent silicon

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Exploring the solid-state conformation and assembly of cyclic peptoid derivatives

L. Erra, C. Tedesco, G. Cerasuolo, C. De Cola, B. Nardone, I. Izzo, G. Vaughan and F. De Riccardis

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Self-assembly of highly charged fullerene fragment: structural mystery resolved

M. A. Petrukhina, A. V. Zabula, A. S. Filatov and S. N. Spisak

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Uncovering the molecular assembly of metal–organic frameworks through scanning force microscopy

P. Cubillas, P. Y. Moh, M. W. Anderson and M. P. Attfield

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In situ observations of impurity effects during protein crystallization

M. Sleutel and D. Maes

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Time-resolved crystallization of charged colloidal silica spheres

W. Hornfeck and D. Herlach

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Crystallization behaviors of protein molecules in high magnetic forces fields

N. Numoto and A. Kita

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xtalPiMS: a tool for managing your crystallization experiments

E. J. Daniel, R. W. Wierenga, J. M. Diprose, I. M. Berry, R. M. Esnouf, D. I. Stuart, G. Seroul, J. Marquez, D. deVries, A. Perrakis, L. Launer, M. Walsh, S. L. Griffiths, K. Wilson, A. Pajon, B. Lin and C. Morris

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New structural insights into the sodium pump

L. Reinhard, M. Nyblom, J. Lindholt, J. Petersen, P. Gourdon, B. Vilsen and P. Nissen

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DNA–protein complex structure prediction: ARCIMBOLDO structure solution with DNA–protein fragment subsets

K. Pröpper, K. Meindl, D. Rodríguez, M. Sammito, B. Dittrich, G. M. Sheldrick, E. Pohl and I. Usón

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A cluster and truncate approach to processing ab initio models for molecular replacement

D. Rigden, J. Bibby, O. Mayans, R. Keegan and M. Winn

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Low-resolution refinement tools in REFMAC5

R. A. Nicholls, F. Long and G. N. Murshudov

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Structure determination by multiple-wavelength anomalous dispersion (MAD) at the Pr L^III edge

S. Puehringer, M. Hellmig, S. Liu, M. S. Weiss, M. C. Wahl and U. Mueller

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The two-dimensional XPD charge-flipping method for structure solution from powder diffraction data

D. Xie, C. Baerlocher and L. B. McCusker

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Neutron scattering studies of ionically conducting oxides

S. Hull, S. T. Norberg and S. G. Eriksson

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Modulation-enchanced diffraction – from theory to experiment

D. Chernyshov, W. van Beek, H. Emerich, A. Urakawa, L. Palin, M. Milanesio, R. Caliandro and D. Viterbo

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Advances in TALP, a direct-space least-squares strategy for solving molecular crystals from powders

J. Rius, O. Vallcorba, C. Frontera and C. Miravitlles

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Current understanding of X-ray induced radiation damage on macromolecular crystals

K. Djinović-Carugo

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An alternative method for quantitive XRPD analysis: partial least-squares regression

C. A. Reiss, D. Beckers, T. Degen and D. Stauch-Steffens

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Systematic characterization of radiation sensitivity and its applications for MX data collection

G. Bourenkov, R. F. Leal, S. Russi and A. N. Popov

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Serial femtosecond crystallography: structure determination and radiation damage analysis

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The role of hydrogen abstraction in X-ray radiation damage

D. Heintz, A. Burkhardt, R. Raghunandan, M. Gutmann, A. Wagner, E. Weckert and A. Meents

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Radiation damage in haem and flavoproteins studied by in situ single-crystal spectroscopy

H.-P. Hersleth, A. K. Røhr, W. van Beek, G. Pompidor and K. K. Andersson

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X-rays and crystallography. A story through stamps

S. García-Granda and J. Montejo-Bernardo

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History of the establishment and development of X-ray analysis methods in Russia – the USSR. First 20 years

N. Fedorchuk, I. Fedorchuk, V. Prikhodski and A. Chuev

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Crystallography in Erice: past, present and future

A. Guerri, J. J. Irwin, G. Scapin and P. Spadon

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The ten two-dimensional crystallographic point groups - an interactive PowerPoint exercise

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The European Crystallographic School (ECS): a permanent initiative to celebrate the IYCr

C. Mealli, R. Oberti and M. Saviano

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Boosting crystallography teaching from Spain

F. Otálora, J.-M. García Ruiz and S. García-Granda

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Cinema and crystallography

L. Torre-Fernández and S. García-Granda

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Beamlines and optics at PETRA III

H. Schulte-Schrepping

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MX at third-generation synchrotrons: better data from real crystals

C. Schulze-Briese, M. Mueller, S. Waltersperger and M. Wang

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The new neutron Laue diffractometer at HZB

G. N. Iles and S. Schorr

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Multilayer optics for X-ray analytical equipment – the past, the present and the future

J. Wiesmann, A. Kleine, B. Hasse, J. Graf, U. Heidorn, S. Kroth, F. Hertlein and C. Michaelsen

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E9 upgraded: the fine-resolution neutron powder diffractometer at BER II

D. M. Többens, M. Tovar, C. Stephan and P. F. Henry

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Structures of icosahedral quasicrystals and approximants

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Decagonal quasicrystals

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Tetrahedron dynamics in the i-ZnMgSc quasicrystal and its 1/1 periodic approximant Zn₆Sc

H. Euchner, T. Yamada, R. Tamura, T. Ishimasa, S. Rols, H. Schober, M. Mihalkovic and M. de Boissieu

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Quasicrystal and approximant surfaces: structural determination and pseudomorphy

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Soft quasicrystals

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Cultivation at 6–10°C is effective to overcome the insolubility of recombinant proteins

Y. J. An, M.-K. Kim, S. M. Lee, C.-S. Jeong and S.-S. Cha

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Towards the co-crystallization of dihydroorotate dehydrogenase in Plasmodium falciparum and Plasmodium vivax with novel inhibitors

R. Caing-Carlsson, L. Kago, C. Fishwick, P. Johnson and R. Friemann

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Structure–function studies of proteins operating on nucleic acids

J. Dohnalek, T. Koval, J. Duskova, T. Skalova, J. Stransky, L. Krasny, J. Korelusova, P. Lipovova, T. Podzimek, J. Matousek and J. Hasek

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The high-resolution structure of the assembly domains of the S-layer protein SbsC

A. Đordić, T. Pavkov-Keller, E. M. Egelseer, U. B. Sleytr and W. Keller

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Additives changing the adhesion properties of macromolecules during the crystallization process

J. Hašek, T. Skálová, J. Dušková, T. Koval and J. Dohnálek

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The Norwegian Structural Biology Centre

R. Helland and A. O. Smalås

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Microseed it! A theoretical and practical exploration of seed stability and seeding techniques for successful protein crystallization

P. D. S. Stewart, S. A. Kolek, R. A. Briggs, N. E. Chayen and P. F. M. Baldock

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Structure of UvrA nucleotide excision repair protein in complex with modified DNA

E. Nowak, M. Jaciuk, K. Skowronek, A. Tańska and M. Nowotny

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Fyn, Fab, Xap: evaluation of different protein binders as crystallization aids

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Mixing high oligomerization with low resolution, winding way! What's key in invertases?

M. A. Sainz-Polo, B. González, M. Alvaro, M. Fernández-Lobato, A. Lafraya, J. Marín, J. Polaina and J. Sanz-Aparicio

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Structure of eukaryotic 2′-O-ribose methyltransferase in complex with mRNA cap analogue

M. Śmietański, M. Werner, E. Purta, K. H. Kamińska, M. Durawa, M. Nowotny and J. M. Bujnicki

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Structural and functional studies of FNE, a bacterial adhesion protein of Streptococcus equi

M. Tiouajni, A. Urvoas, M. Lepiniec-Valerio, D. Durand, K. Blondeau, A. Guellouz, M. Graille, P. Minard and H. Van Tilbeurgh

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Protein crystallization in gels: the better choice to grow crystals for structural determination

A. E. S. Van Driessche, J. A. Gavira, L. A. González-Ramírez, E. Melero-García, F. Otálora and J. M. García-Ruiz

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Insulin analogues for insulin receptor studies and medical applications

C. J. Watson, J. Jiráček, L. Žáková, E. Antolíková, J. P. Turkenburg, G. G. Dodson and A. M. Brzozowski

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Structural basis of the protein–protein interactions among ISC proteins involved in de novo Fe–S cluster biosynthesis

K. Hirabayashi, Y. Takahashi, K. Fukuyama and K. Wada

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Terahertz absorption change in photosynthetic reaction center upon photoactivation

I. Lundholm, W. Y. Wahlgren, F. Piccirilli, A. Perruchi and G. Katona

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BioMAX, a multipurpose high-throughput crystallography beamline at MAX IV

M. Thunnissen, J. Unge, A. Labrador, D. T. Logan and T. Ursby

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The Cassiopeia suite of beamlines at the MAX IV laboratory

M. Thunnissen, R. Appio, J. Unge, F. Fredslund, T. Plivelic, S. Haas, D. T. Logan, T. Ursby and A. Labrador

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EMBL beamlines for life-science applications at PETRA III

T. R. Schneider, G. Bourenkov, M. Cianci, M. Roessle, D. Svergun, F. Cipriani and S. Fiedler

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Structural biology beamlines at the Photon Factory

Y. Yamada, N. Matsugaki, L. M. G. Chavas, M. Hiraki, N. Shimizu, N. Igarashi and S. Wakatsuki

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Crystal shape recognition software

V. Eigner, M. Dušek and J. Čejka

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New tools for biological crystallography in the home lab: results

S. Freisz and V. Smith

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Key metrics for single-crystal two-dimensional X-ray area-detector systems

Z. Gál, A. Griffin, F. White, O. Presly, D. Kucharczyk and M. Meyer

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XDSAPP – a graphical user interface for processing diffraction data using XDS

U. Mueller, M. Krug, M. S. Weiss and U. Heinemann

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PHOTON 100 CMOS detector for crystallography

H. Ott, B. C. Noll and M. Ruf

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G-Rob: a flexible multitask six-axis robotic-arm based system for crystallography

X. Vernède, M. Pirocchi, Y. Sallaz-Damaz, C. Berzin, M. Terrien, M. Y. H. Khajepour and J.-L. Ferrer

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SHELXLE – a GUI for SHELXL

C. B. Hübschle, B. Dittrich and G. M. Sheldrick

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Using partial observations, partial models and partial residuals in least-squares refinement

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Discovery of novel inhibitors of bacterial beta-lactamases using ARP/wARP-based drug design

C. Carolan, V. Lamzin, V. Grigorenko and A. Egorov

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Structure determination of 9-[(E)-2-(substituted phenyl)ethenyl]-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione

J. H. Cha, J. K. Lee and Y. S. Cho

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Metformium guanylurea salt of decavanadate, (HMet⁺)₂(HGU⁺)₄(V₁₀O₂₈⁶⁻)·2H₂O

A. Chatkon, A. Barres, K. J. Haller and D. C. Crans

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XRD, vibrational and thermal characterization of theophylline:carboxylic acid adducts

K. J. Haller and W. Somphon

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Structural studies of cisplatin and carboplatin binding to histidine in a protein up to 1 year

S. W. M. Tanley, A. M. M. Schreurs, L. M. J. Kroon-Batenburg and J. R. Helliwell

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Supramolecular structure of flavanone

N. Khosavithitkul and K. J. Haller

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Conformation and hydrogen bonding in amine salts of diclofenac

C. H. Schwalbe, M. Ramirez, B. R. Conway and P. Timmins

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Crystal packing in methoxybenzyl and methoxyphenethyl-1,3,4-oxadiazole-2(3H)-thiones

J. Simpson, I. Khan and A. Ibrar

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Structural characterization of trypanosomatids kinases: targets to drug discovery

T. Souza, D. Trindade, C. Tonoli, C. Santos, R. Ward, A. Oliveira and M. Murakami

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Structural evidence of anti-HIV lectin actinohivin specific to HMTG of gp120

M. M. Hoque, J. Jiang, K. Suzuki, M. Tsunoda, N. Ohbayashi, X. Zhang, T. Sekiguchi, H. Tanaka and A. Takénaka

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Conformational changes in the calcium pump

M. Bublitz, J. D. Clausen, C. Montigny, B. Arnou, C. Jaxel, M. le Maire, J. V. Møller and P. Nissen

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Nearly there: the structure of human aquaporin 2

A. Frick, U. K. Eriksson, J. van Oostrum, R. Neutze, W. de Grip and S. Törnroth-Horsefield

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SAXS analysis of membrane proteins reconstituted into nanodiscs

M. Järvå, P. Huda, N. Skar-Gislinge, L. Arleth and S. Törnroth-Horsefield

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Cardiotonic steroids and the Na/K-ATPase

J. Lindholt, L. Reinhard and P. Nissen

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Crystal structure of acid-sensing ion channel 1 in complex with the gating modifier psalmotoxin 1

A. Ruf, J. Benz, P. Stohler, T. Tetaz, C. Joseph, S. Huber, G. Schmid, D. Huegin, P. Pflimlin, G. Trube, M. G. Rudolph, M. Hennig and R. J. P. Dawson

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Glycosylation increases the thermostability of human aquaporin 10

J. Sjöhamn, F. Öberg, G. Fischer, A. Moberg, A. Pedersen, R. Neutze and K. Hedfalk

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Towards the structural characterization of MgtA, a magnesium transporter

S. Subramani, H. Perdreau and J. P. Morth

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H⁺-translocating pyrophosphatase

Y.-J. Sun, S.-M. Lin, J.-Y. Tsai, C.-D. Hsiao, Y.-T. Huang, C.-L. Chiu, M.-H. Liu, J.-Y. Tung, T.-H. Liu and R.-L. Pan

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Crystal structure of the human IgG4 CH3 dimer reveals the role of Arg409 in Fab-arm exchange

A. M. Davies, T. Rispens, T. H. den Bleker, J. M. McDonnell, H. J. Gould, R. C. Aalberse and B. J. Sutton

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Crystal structure of filamentous aggregates of human DJ-1

M.-K. Kim, Y. J. An, C.-S. Jeong, S. Lee and S.-S. Cha

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Structural studies of sacsin

G. Kozlov, A. Y. Denisov, J.-F. Trempe, H. Pande, M. Girard, M.-J. Dicaire, P. S. McPherson, B. Brais and K. Gehring

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HP0315 from Helicobacter pylori as a VapD protein with an endoribonuclease activity

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Auto-inhibitory assembly of protein kinase CK2 revealed by X-ray crystallography

G. Lolli, L. A. Pinna and R. Battistutta

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Crystal structure of staphylococcal enterotoxin B in complex with two human immunoreceptors

K. Rödström and K. Lindkvist-Petersson

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Structural details for the disassembly of the AAA-ATPase VCP/p97 by ASPL

Y. Roske, A. Arumugham, E. Wanker and U. Heinemann

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Structural and functional insights into Mycobacterium tuberculosis and Mycobacterium smegmatis enhanced intracellular survival protein

H.-J. Yoon, K. H. Kim, D. R. An, J. Y. Yoon, H. S. Kim, H. N. Im, J. Kim and S. W. Suh

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Structure–function studies on the proteolytic activity of the Marasmius oreades agglutinin (MOA), a cytotoxic lectin

G. Cordara, I. J. Goldstein, K. Sandvig and U. Krengel

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Damaged guanine residue relevant to gastrointestinal cancer allows thymine residue to be flexible between Watson–Crick type pairing and large wobbling

F. Zhang, M. Tsunoda, O. Wilkinson, C. L. Millington, D. M. Williams and A. Takénaka

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Crystallization and structure determination of a Crocus sativus cysteine protease

S. Iqbal, A. Akrem, F. Buck, M. Perbandt, S. Banumathi, M. I. Choudhary and C. Betzel

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Structural determinants of substrate specificity in a nitrilase superfamily amidase

S. Kimani and T. Sewell

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Crystal structure of enzyme–substrate complex of protein-glutaminase obtained by the mutant of pro-enzyme

B. Mikami, Y. Maki, R. Hashizume, K. Mizutani, N. Takahashi, H. Matsubara, A. Sugita, K. Sato and S. Yamaguchi

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Structural basis for the cytidylyltransferase reaction catalyzed by yeast ECT

J. Ohtsuka, R. Fukuda, S. Wang, Y. Ono, W. C. Lee, K. Ito, K. Nagata, A. Ohta and M. Tanokura

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Identification and structure of a novel archaeal HypB for [NiFe] hydrogenase maturation

D. Sasaki, S. Watanabe, R. Matsumi, T. Shoji, A. Yasukochi, K. Tagashira, W. Fukuda, T. Kanai, H. Atomi, T. Imanaka and K. Miki

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The 1-Cys Prx protein from cyanobacteria is a peroxidase and a chaperone

U. H. Sauer, Y. Mishra, M. Hall and P. Storm

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Hpy188I-DNA structures – snapshots of the GIY-YIG nuclease mediated catalysis

M. Sokolowska, H. Czapinska and M. Bochtler

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Crystal structure and functional characterization of Helicobacter pylori DsbG

H.-J. Yoon, J. Y. Yoon, J. Kim, S. J. Lee, H. S. Kim, H. N. Im, K. H. Kim and S. W. Suh

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Structural studies on the metastasis associated S100A4 using X-ray crystallography and small-angle X-ray scattering (SAXS)

A. Duelli, B. Kiss, L. Nyitray and G. Katona

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The N-terminal domain of the CI repressor from bacteriophage TP901-1 in complex with DNA

K. H. Frandsen, K. K. Rasmussen, M. R. Jensen, M. Pedersen, J.-C.N. Poulsen, L. Arleth and L. Lo Leggio

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Interaction surface of Get3/Get4/Get5, a complex involved in tail-anchored protein targeting

C.-D. Hsiao, Y.-W. Chang, T.-W. Lin, Y.-C. Li, Y.-S. Huang and Y.-J. Sun

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Crystal structure of Lon protease

C.-S. Jeong, Y. J. An, M.-K. Kim, S. Lee and S.-S. Cha

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Structural analysis of Nur and Zur from Streptomyces coelicolor

S. Lee, Y. J. An, M.-K. Kim, C.-S. Jeong and S.-S. Cha

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Structure, electrostatics and complexation of immune receptors and ligands

T. Skálová, K. Kotýnková, J. Dušková, J. Hašek, T. Koval, P. Man, P. Hanc, O. Vanek, K. Bezouška and J. Dohnálek

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Mechanism for DNA recognition by transcriptional factor AdpA from Streptomyces griseus

M. Tanokura, M. D. Yao, J. Ohtsuka, K. Nagata, K.-I. Miyazono and Y. Ohnishi

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The relevance of cyanobacterial Tic22 to plant and malarial protein transport

I. Tews, P. Koenig, I. Sinning, J. Tripp, O. Mirus and E. Schleiff

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Li₇La₃Zr₂O₁₂ garnet doped with Fe: crystal chemistry and possible use as a cathode material in Li-oxide batteries

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LiCoO₂: from the precursors to the oxide

J.-P. Brog, A. Crochet and K. M. Fromm

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Reactions of the 2LiBH₄–Mg₂FeH₆ assemblage for hydrogen storage

M. Catti, M. R. Ghaani and A. Nale

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Mixed-metal precursors for mixed-metal oxides

C.-L. Chanez and K. M. Fromm

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Mg/Zn mixed-metal borohydride for hydrogen storage: ab initio periodic computational study of the phase stability and decomposition

B. Civalleri, E. Albanese, E. Pinatel and M. Baricco

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Structural and functional analysis of a GH12 from Aspergillus terreus

B. A. Dias, F. Segato, T. Souza, A. Damásio, R. Almeida, A. Citadini, D. Oliveira, M. Murakami, E. Gomes and F. Squina

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Volatile heterometallic precursors for lithium ion battery cathodes

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XRD analysis of superconducting MgB₂ prepared by reactive Mg liquid infiltration process

G. Giunchi, A. F. Albisetti, A. Aprea, L. Malpezzi, N. Masciocchi and L. Bindi

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Crystal structure analysis of layered compounds Cr_xTiS₂

K.-I. Ohshima, S. Ikeda, T. Kawasaki and M. Takahashi

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Proton conduction in geometrically frustrated lanthanum tungstate

T. Scherb, S. A. J. Kimber, C. Stephan, P. F. Henry, G. Schumacher, S. Escolastico and J. M. Serra

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Structural richness of Cr⁶⁺ and Cr⁵⁺ oxysalt materials: new insights and trends

O. I. Siidra, E. V. Nazarchuk and S. V. Krivovichev

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Crystal and twin structure in LSGMn crystals

T. Tataryn, D. Savytskii, L. Vasylechko, C. Paulmann and U. Bismayer

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Structure and morphology of nanosized Ce_0.8Gd_0.2O_1.9/Ni infiltrate in a ceramic anode of a solid oxide fuel cell

W. Zhang, L. T. Kuhn, P. S. Jørgensen, B. R. Sudireddy, J. J. Bentzen and T. Ramos

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Crystal structure behaviour in the La(Pr)AlO₃–TbAlO₃ systems

T. Basyuk, V. Berezovets, D. Trots, S. Hoffmann and L. Vasylechko

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High-pressure crystallography on the CRISTAL beamline at SOLEIL synchrotron

P. Fertey, S. Ravy, E. Elkaim, C. Laulhe, J.-P. Itié and R. Fourme

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Characterization of ceramics from Inner Mongolia using complementary diffraction techniques

R. Gilles, I. M. Siouris, D. Visser, W. Kockelmann, S. Katsavounis, M. Hoelzel, J. M. Walter and M. Brunelli

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Novel rehydration mechanism of iron-based layered double hydroxides

D. Haase, D. F. Sranko and S. E. Canton

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G-Rob with crystal-listing function for automated in situ diffraction and with robotic crystal harvesting

M. Y. H. Khajepour, X. Vernède, H. Lebrette, D. Cobessi, F. Borel, J. Joly, C. Berzin, M. Terrien and J.-L. Ferrer

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Surface modification of calcium hydroxyapatite by etidronic acid

M. Othmani, A. Aissa and M. Debbabi

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High-pressure X-ray single-crystal and powder diffraction of SF₆ up to 14 GPa

N. Rademacher, L. Bayarjargal, W. Morgenroth, A. Friedrich and B. Winkler

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High-resolution electron microscopy study of the early stages of calcium sulfate formation

A. E. S. Van Driessche, L. G. Benning, J. D. Rodriguez-Blanco, M. Ossorio, P. Bots and J. M. García-Ruiz

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Crystal structure features of christofschäferite-(Ce), a new mineral of chevkinite group

S. M. Aksenov, R. K. Rastsvetaeva and N. V. Chukanov

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Crystal structure of the fluorite-like Nd₅Mo₃O₁₆ compound

O. Alekseeva, N. Sorokina, I. Verin, N. Bolotina, A. Gagor, A. Pietraszko, E. Kharitonova and V. Voronkova

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A topological method for classification of entanglements in crystal networks

E. V. Alexandrov, V. A. Blatov and D. M. Proserpio

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Three-dimensional mapping of reciprocal space and structural complexity of A_xFe_2−ySe₂ superconductors (A = Rb, Cs)

A. Bosak, V. Svitlyk, A. Popov, D. de Sanctis, E. Pomjakushina, V. Pomjakushin, A. Krzton-Maziopa, K. Conder and D. Chernyshov

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X-ray structure investigation of the minerals from lake-marsh ores

A. Chuev, N. Fedorchuk and M. Petrova

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Crystal structure of ~RCu₃S₃ and ~RCuTe₂ (R = Gd–Lu) compounds

M. Daszkiewicz, L. D. Gulay, A. Gagor, A. Pietraszko and V. Ya. Shemet

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Towards the solution of challenging crystal structures using Laue microdiffraction

C. Dejoie, L. B. McCusker, C. Baerlocher, M. Kunz, N. Tamura, C. Beavers and S. J. Teat

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Progress in the calcium–palladium–germanium system

I. Doverbratt, S. Ponou and S. Lidin

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Relationship between structure of graphene layers and electrical properties of natural nanostructured carbon compounds

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Crystal structures of NaLnF₄ (Ln = La, Ce, Pr, Nd, Sm and Gd) studied with synchrotron single-crystal and powder diffraction

A. Grzechnik and K. Friese

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Mineralogical composition of atmospheric dust in Pilsen studied by X-ray powder diffraction

D. Havlicek, J. Plocek and M. Klan

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Number-theoretic approaches to the description of crystal structures

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A systematic crystal chemical study of mixed stannides/germanides

M. Jehle, I. Dürr, S. Fink, B. Lang and C. Röhr

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Crystal chemistry and electronic structures of thiooxo metallates

A. J. Lehner and C. Röhr

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Boron in mullites

H. Lührs, R. X. Fischer, H. Schneider, J. V. Hanna and S. P. King

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Crystal structure and spectroscopic characterization of a one-dimensional coordination polymer

A. Mansour, M. S. Belkhiria, A. Bujacz, V. Guérineau and H. Nasri

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Systematic investigation of the structure and the electronic requirements of the Na₃₆Cd₂₄Ga₅₆ type

V. Mihajlov and C. Röhr

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Lattice thermal expansion of mullite-type PbMBO₄ for M = Al, Ga, Fe and Mn

M. M. Murshed and Th. M. Gesing

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Novel Hg-rich mercurides BaHg₆ and Ba₂₀Hg₁₀₃ and their ternary Zn, Cd, Ga and In derivatives

M. Wendorff and C. Röhr

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Experimental and theoretical electron density in MgB₇

V. Sagawe and H. Hillebrecht

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Theoretical analysis of MB₂, M₃B₄ and M₅B₆ (M = V, Nb, Ta, Cr)

V. Sagawe and H. Hillebrecht

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Rumseyite, [Pb₂OF]Cl – fluoroxychloride mineral with the parent crystal structure for layered lead oxychlorides

O. I. Siidra, R. W. Turner, S. V. Krivovichev and J. Spratt

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In situ high-temperature study of structural transformation of cronstedtite-1T

S. C. Tarantino, M. Zema and A. Elmaleh

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Diopside–titanian pargasite intergrowth: crystallography and formation mechanism

S. C. Tarantino, A. Zanetti, M. Mazzucchelli, M. Zema, F. Heidelbach, N. Miyajiima, P. Ghigna, L. Olivi and E. Gasparini

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Structure change and Peierls mechanism of metal–insulator transition in ferromagnetic K₂Cr₈O₁₆

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Metasideronatrite-1M, Na₂Fe(SO₄)₂(OH)·H₂O: a new polytype from Mežica (Slovenia)

F. Cámara and M. Ciriotti

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New chain diborate TmH[B₂O₅] and its relation to GdH[B₂O₅]: group–subgroup relation

A. P. Zorina, E. L. Belokoneva and O. V. Dimitrova

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Studies of structural changes in K₉H₇(SO₄)₈·H₂O single crystals with temperature

T. Chernaya, I. Makarova, I. Verin, V. Grebenev and V. Dolbinina

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Synthesis and high-temperature characterization of mullite-type (Al_1−xGa_x)₄B₂O₉

K. Hoffmann, M. M. Murshed, R. X. Fischer and Th. M. Gesing

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Temperature dependence of local structure change in lithium peroxide

Y. Matsushita, K. Monma, F. Izumi, Y. Kubo, Y. Katsuya, M. Tanaka and O. Sakata

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Phase transitions in KIO₃

L. Bayarjargal, L. Wiehl, A. Friedrich, B. Winkler, E. A. Juarez-Arellano, W. Morgenroth and E. Haussühl

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Structure, elasticity, thermodynamics and high-pressure behavior of ZnB₄O₇ and CdB₄O₇

L. Wiehl, B. Winkler, A. G. Castellanos Guzman, L. Bayarjargal and V. Milman

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HT behaviour of orthorhombic amphiboles: ferroholmquistite

M. Zema, M. Boiocchi and R. Oberti

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Electronic structure of the nickel(II) complex of a Schiff base and glycine

M. Fronc, P. Herich, A. Popkov and J. Kozisek

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Electrostatic interactions and sequence recognition by Zinc Fingers

A. M. Goral, K. N. Jarzembska and P. M. Dominiak

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MoProViewer: a molecule viewer for the MoPro charge-density analysis program

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Mosaic structure of single crystals: investigation of mosaicity and anisotropy of pyrite

A. K. Hüsecken, S. Gorfman and U. Pietsch

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Physicochemical properties of hybrid organic–inorganic complexes via charge-density studies

R. Kamiński, R. Gajda, K. Jarzembska and K. Woźniak

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Charge-density distribution of diborides

B. N. Kodess, V. Khvostov and P. Kodess

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Charge-density study on quinazoline derivative crystals

A. Tojiboev, U. Englert and K. Turgunov

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Dithiazyl radicals – structures and charge densities of their crystals and co-crystals

K. Wozniak, K. Kość, S. W. Robinson, S. Domagala and D. A. Haynes

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Structural impact of Pt on a γ-brass related composite structure in the Zn–Pd system: a guided view by (3+1)-dimensional space description

P. P. Jana and S. Lidin

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Multidimensional crystallography applied to critical phenomena

C. Mariette, L. Guérin, P. Rabiller and B. Toudic

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Structure modulation and charge ordering in self-doped M_xCuO₂ crystals

O. Milat, K. Salamon, T. Ivek, T. Vuletić and S. Tomić

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Standard and non-standard settings of superspace groups

S. van Smaalen, H. T. Stokes and B. J. Campbell

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Structural relations between particular and double brucinium diastereomeric salts

A. Białońska and Z. Ciunik

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Ab initio structure analysis of hexagonal MnO using X-ray powder diffraction data

Y.-I. Kim, K. M. Nam and J. T. Park

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High-pressure studies of a trio of polymorphs with conformational variability

A. J. Blake, J. Tidey, H. L. S. Wong and M. Schröder

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Charge-density studies of halogen bonds in crystals of chloro-nitrobenzene derivatives

T. Borowiak, G. Dutkiewicz and B. Misterkiewicz

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Structural and energetic landscape of diboronic acids

K. Durka, K. N. Jarzembska, R. Kamiński, S. Luliński, J. Serwatowski and K. Woźniak

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High-pressure crystallography 2.0: harnessing the power of the crystallographer community

K. F. Dziubek and A. Katrusiak

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Supramolecular structure of an unusual nevirapine derivative

J. Ferreira da Silva, A. Antunes, M. Sidarius, D. Novais, S. Harjivan, P. Santos, F. Beland and M. Marques

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Study of pressure-induced structural transformations in bis(glycinium)oxalate

A. Ivanova, I. Makarova, L. Dubrovinsky, N. Dubrovinskaia and R. Chitra

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Single-crystal X-ray structure analysis of the complex [Fe(bbtr)₃](ClO₄)_y(BF₄)_2−y

J. Kusz, R. Bronisz, G. Bednarek and M. Nowak

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Contribution of weak S—H⋯X hydrogen bonds to phase transitions in crystals of cysteine, its salts and derivatives under high pressures and low temperatures

V. S. Minkov and E. V. Boldyreva

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Chiral aggregation hierarchy in high-pressure resolved 2-butanol and 2,3-butanediol

M. Podsiadło, E. Patyk and A. Katrusiak

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Challenges in small-molecule XRD – alkali metal organics from ammonia

R. Michel and D. Stalke

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Anion–π interactions in pentafluorobenzyl-substituted ammonium salts

A. Valkonen, M. Giese, M. Albrecht and K. Rissanen

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Molecular interactions in complexes of 4,4′-dinitrobiphenyl

P. van Rooyen, D. Liles and E. Modau

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Non-covalent interactions in crystals of some heterocyclic compounds

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Amide hydrogen bonding versus coordination?

M. Đaković, A. Filošević and Z. Popović

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Polymorphic behaviour of 5-chloro-3-phenyl-2(1H)-pyrazinone

L. Dobrzańska, J. Alen and W. M. De Borggraeve

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Hydrogen/deuterium exchange on small organic molecules and its influence on the molecular aggregation

A. Kupka, V. Vasylyeva and K. Merz

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Design of crystal Z′ = 2 structures: obtaining, search for polymorphs

O. Lodochnikova

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The exhibition of isomorphism in alkylammonium halides with rac-1,1′-bi-2-naphthol

E. Marfo-Owusu, K. Okuyama and K. Noguchi

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Low-temperature and high-pressure polymorphism in a room-temperature ionic liquid

S. Saouane, S. E. Norman, T. G. A. Youngs, C. Hardacre and F. P. A. Fabbiani

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Experimental and theoretical studies of the NLO properties of a chiral crystal

P. S. Pereira Silva, H. El Ouazzani, M. Ramos Silva, J. A. Paixão and B. Sahraoui

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Pharmaceutical co-crystals with isonicotinamide

N. B. Báthori, A. Lemmerer, G. A. Venter, S. A. Bourne and M. R. Caira

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Cocrystal constructed of one component?

P. Bombicz, P. Smie and E. Sattler

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Pyrazinamide cocrystals with dicarboxylic acids by liquid-assisted grinding

D. Choquesillo-Lazarte, C. Verdugo-Escamilla and J. M. García-Ruiz

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Solid-state Diels–Alder cycloaddition via charge-transfer complexes: reaction of N,N′-bis(propylimino)-1,4-dithiin with 2-acetylanthracene

M. A. Fernandes and S. Khorasani

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New bifunctional thiacalix[4]arenes as potential heteroditopic receptors

B. M. Gabidullin, A. T. Gubaidullin, S. N. Podyachev and S. N. Sudakova

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Metal–organic coordination networks with meso-tetra(3-carboxyphenyl)porphyrin

I. Goldberg and S. Lipstman

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Comparative study of glycine co-crystallization with dicarboxylic acids by various techniques

E. Losev, M. Mikhailenko, A. Achkasov and E. Boldyreva

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Preparation and characterization of an anti-inflammatory drug ethenzamide cocrystals with dicarboxylic acids

I. Sarcevica, L. Orola, M. V. Veidis and S. Belyakov

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Luminescent proton-conducting lanthanide carboxyphosphonate open-framework hybrids

M. A. G. Aranda, R. Colodrero, P. Olivera-Pastor, E. R. Losilla, A. Cabeza, K. Papathanasiou, N. Stavgianoudaki, K. Demadis, D. Choquesillo-Lazarte and J. García-Ruiz

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Aminoguanidine and diaminoguanidine as adaptive cationic building blocks in organosulfonate structures

A. van der Lee, Y.-M. Legrand, D. Dumitrescu and M. Barboiu

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Mesoporous Zr^IV and Hf^IV metal–organic frameworks with reo topology

V. Bon, V. Senkovskyy, I. Senkovska and S. Kaskel

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From stimuli-responsive organic dye crystals to photoluminescent three-dimensional open framework

Y.-C. Chang and S.-L. Wang

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One-dimensional polymeric materials based on Mn^II, Zn^II and Cd^II pyridine-2-aldoxime

L. Croitor, E. B. Coropceanu and M. S. Fonari

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Novel hybrid inorganic–organic one-dimensional chain systems tailored with monocarboxylic acids

I. Djerdj, J. Popović, J. Stare, G. Ambrožič, S. Škapin, B. Kozlevčar, D. Pajić, Z. Jagličić and Z. Crnjak Orel

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Optical properties and doping effects of divalent tin phosphite grown from deep-eutectic solvent

H.-L. Huang and S.-L. Wang

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Controlled synthesis and mechanical properties of a highly flexible porous zinc phosphite

H. Y. Lin and S.-L. Wang

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New MOFs based on the unexplored linker 4,4′-dimethoxy-3,3′-biphenyldicarboxylic acid

F. Lundvall, D. S. Wragg, P. D. C. Dietzel and H. Fjellvåg

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Pressure-induced post-synthetic modification of a metal–organic framework

S. C. McKellar, A. J. Graham, M. I. Mohideen, R. E. Morris and S. A. Moggach

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New Zn MOFS, topological relationships

M. E. Medina, A. E. Platero-Prats, N. Snejko, E. Gutiérrez-Puebla and M. A. Monge

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Solid-state structural transformations from two-dimensional interdigitated layers to three-dimensional interpenetrated structures

R. Medishetty and J. J. Vittal

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Lanthanide MOFs: searching for efficient solvent-free catalysts

M. A. Monge, R. D''Vries, M. Iglesias, N. Snejko and E. Gutiérrez-Puebla

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Insight into the SBU variety in alkaline earth metal–organic frameworks

A. E. Platero-Prats, N. Snejko, E. Gutiérrez-Puebla and M. A. Monge

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A stable organic radical stacked by in situ coordination to rare earth cations

N. Snejko, F. Gándara, A. Monge, E. Gutiérrez, A. de Andrés, J. Rodriguez and J. Gómez-Sal

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Synthesis, crystal characterization and luminescent properties of mixed carboxylate ligand Zn^II complexes

W. Somphon and K. J. Haller

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Structural analysis and DFT calculations of (Z)-1-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)-methylene]naphthalen-2(1H)-one

A. Erdönmez, G. Alpaslan, M. Macit and O. Büyükgüngör

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A supramolecular 2:1 guanidinium-carboxylate-based building block for generation of extensive water channels and tetrameric water clusters in an organic material

V. N. Yadav and C. H. Görbitz

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Hyperspectral X-ray imaging using scattered radiation

R. Cernik, C. Egan and S. Jacques

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Antiferromagnetic exchange interactions in a Cu^II alternating chain

M. Ramos Silva, P. S. P. Silva, B. Milne, L. C. J. Pereira and J. A. Paixão

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Integrated XRD/SONICC/TPE-UVF for identifying and centering of protein crystals

C. Dettmar, S. Toth, M. Becker, R. Fischetti and G. Simpson

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The Nd–Gd chromium borates solid solutions: structures and phase relations

E. Dobretsova, K. Boldyrev and E. Borovikova

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Isolated heptanuclear bi-capped dicubane SBUs in a lanthanide-MOF series: structural, topological and luminescent behavior

E. Gutiérrez-Puebla, R. D''Vries, S. Álvarez-García, A. de Andrés, N. Snejko and A. Monge

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Gapless dispersion surfaces in diffraction physics

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Importance of hydrogen atoms in small molecules

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Atomic ordering in PbMgTaO recovered from the anomalous X-ray scattering

Z. Šourek, M. Kopecký, J. Kub, J. Fábry and J. Hlinka

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In situ GISAXS study of a nanoparticle Langmuir film formation for plasmonic applications

M. Jergel, K. Vegso, P. Siffalovic, M. Benkovicova, T. Kocsis, S. Luby, E. Majkova, K. Nygård and O. Konovalov

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Neutron data collection at room temperature with tiny crystals of perdeuterated proteins

A. Mitschler, M. P. Blakeley, M. Haertlein, I. Petit-Haertlein, I. Hazemann, D. Myles, C. Muller-Dieckmann, A. Popov and A. Podjarny

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Stacking disorder in Pigment Red 170 explained by lattice-energy minimizations

J. Teteruk, M. U. Schmidt, T. Gorelik and A. Linden

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The average structure of disordered β-Pigment Red 170

R. Warshamanage, A. Linden and H. B. Bürgi

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Diffraction methods for detailed studies of the Dzyaloshinskii–Moriya ferroics

V. E. Dmitrienko, V. A. Chizhikov, E. N. Ovchinnikova, G. Beutier, S. P. Collins, G. Nisbet and Y. O. Kvashnin

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Structural phase transitions related to magnetic phenomena in CuCrSe₂ and AgCrSe₂ magneto-elastics

A. Gagor, A. Pietraszko and L. Gulay

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Crystal structures and stability of trigonal KLnF₄ fluorides (Ln = Y, Ho, Er, Tm and Yb)

K. Friese, N. Khaidukov and A. Grzechnik

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Kamiokite: a new multiferroic mineral

G. Nénert, M. Fukunaga, H. Kimura, P. Strobel and Y. Noda

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Panoramic phase diagrams of BiFeO₃-based solid solutions

P. Teslenko, A. Nazarenko, L. Reznichenko, Y. Kabirov and M. Kupriyanov

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Lead-free piezoelectric composites produced by three-dimensional additive manufacturing

D. I. Woodward, P. A. Thomas, S. J. Leigh and D. R. Billson

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Crystal chemistry of Fe,Al-bearing silicate perovskites at high pressures and temperatures

L. Dubrovinsky, K. Glazyrin, T. Boffa-Ballaran, E. Bykova, M. Merlini, M. Hanfland and N. Dubrovinskaia

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Theoretical probe on effect of high pressure on thermophysical properties of perovskite rare earth manganites

A. S. Srivastava and N. K. Gaur

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Line-edge roughness estimation in SEM images of lithographic nanostructures

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Study of Na_0.44MnO₂ by manual diffraction tomography using beam precession TEM method

A. S. Galanis, M. Gemmi, F. Karavassili, A. Lappas, I. Margiolaki and S. Nikolopoulos

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Oxygen diffusion and structural and properties in La_2−xSr_xCuO_4+d and La₂CoO_4+d

J. Schefer, M. Ceretti, L. Le Dreau, R. Sura, C. Prestipino, W. Paulus, L. Keller, K. Conder, E. Pomjakushina and B. Pederson

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Bimodal domain configuration and wedge formation in tetragonal Pb[Zr_1−xTi_x]O₃

L. A. Schmitt, D. Schrade, H. Kungl, B.-X. Xu, R. Mueller, M. J. Hoffmann, H.-J. Kleebe and H. Fuess

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Peak-broadening effects from nanocrystallite material: modeling of average shape

L. F. Lundegaard, A. Katerinopoulou and T. Balic-Zunic

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Surface structural inhomogeneities and fractal properties of MnO₂ semiconductor thin films

L. Skatkov, V. Gomozov and S. Deribo

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Symmetry analysis of IR, Raman and high-order Raman scattering phenomena on the Bilbao Crystallographic Server

G. de la Flor, E. S. Tasci, M. I. Aroyo, J. M. Perez-Mato and B. Mihailova

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Nanostructured metal–polymeric catalysts

M. A. Zaporozhetc, M. E. Grigorev, A. V. Egorov, S. V. Savilov, V. I. Nikolaichik, V. G. Matveeva, E. M. Sulman and A. S. Avilov

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Thermal motion in the crystals of octamethylanthracene and its ion-radical salts

S. Lindeman, S. Wadumethrige, R. Rathore and O. Dolomanov

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How to measure the dynamics of solid–gas reactions

L. R. Nassimbeni, N. B. Báthori and A. Jacobs

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Copper(I) complexes of bipyridine and terpyridine with fluorous tails and the formation of crystalline materials with fluorous layers

Y. Diskin-Posner, V. Madhu and R. Neumann

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Structure solution and refinement of 'small' molecules

Y. Diskin-Posner

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Zn^II coordination in human and bovine bromo- and iodo-insulin hexamers

D. Matković-Čalogović, B. Prugovečki and I. Đilović

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Multipolar refinement of amino acids with anisotropic H-atom treatment

A. Pazio, M. Gutmann, P. Dominiak and K. Woźniak

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Unusual ligand coordination effects: crystallographic study of [Re(CO)₃]⁺ complexes

A. Brink, H. G. Visser and A. Roodt

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Theoretical modeling and experimental studies on (E)-2-chloro-N-((5-nitrothiophen-2-yl)methylene)aniline

U. Ceylan, O. Deveci, S. Gümüş, E. Adar and O. Büyükgüngör

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Synthesis and characterization of diborane compounds

A. Damme and H. Braunschweig

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Experimental and DFT studies on poly[octa-μ₃-acesulfamato-O,O:N,O′;O′,N:O,O-tetraaquatetrabarium(II)] complex

G. Demirtaş, N. Dege, H. İçbudak, O. Yurdakul and O. Büyükgüngör

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Selenium–oxygen and selenium–bromine contacts in a hypervalent bis(2-selanylimidazolium)benzene derivative

E. Herdtweck, S. M. Huber and F. Kniep

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A proton-transfer compound: pyridiniumfumarate

W. Falek, A. Direm, Z. Boutobba and N. Benali-Cherif

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Synthesis, crystal structure and thermal behavior of coordination polymers based on zinc(II)

E. Fernández-Zapico, J. Montejo-Bernardo, J. R. García and S. García-Granda

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Understanding hybrid polymeric materials with N-salicylidene aniline derivatives: a structural approach

P.-L. Jacquemin, K. Robeyns, J. Marchand-Brynaert, M. Devillers and Y. Garcia

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trans-Keto* form emission in non-photochromic N-salicylidene aminomethylpyridines: a structural study

P.-L. Jacquemin, F. Robert, B. Tinant and Y. Garcia

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Perpendicular versus coplanar conformation of SeCl₂ moiety in hypervalent T-shaped adducts

V. N. Khrustalev, S. R. Ismaylova, Z. V. Matsulevich and A. V. Borisov

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Synthesis and characterization of novel tantalum(V) and niobium(V) complexes containing N,O- and O,O′-bidentate ligands

R. Koen, H. G. Visser and A. Roodt

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Structures of Fischer multi-carbene complexes of furan and thiophene

D. C. Liles, N. A. van Jaarsveld and S. Lotz

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Carbamates I: structural and conformational study of eight methoxyphenyl-N-pyridinylcarbamates

P. Mocilac and J. F. Gallagher

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(E)-2-[(2,4-Dimethylphenylimino)methyl]-6-ethoxyphenol and (E)-2-[(2,4-dichlorophenylimino)methyl]-6-ethoxyphenol

H. Y. Odabaşoğlu, M. Odabaşoğlu, O. O. Avinç and O. Büyükgüngör

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2,3-Dibromo-3aH,5H-4-oxa-9b-aza-cyclopenta[a]naphthalene-1-one

M. Odabaşoğlu and O. Büyükgüngör

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Solid-state photochromism of chromenes

K. Ogawa, K. Ueki and J. Harada

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An imidazolium-substituted Pd₃-cycloheptatrienyl sandwich complex

A. Pöthig, K. Mantas-Öktem, K. Öfele, B. Bechlars, W. A. Herrmann and F. E. Kühn

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Coordination and separation chemistry of hafnium oxinato complexes

J. A. Viljoen, H. G. Visser and A. Roodt

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Pb-doped KCl: from adsorption to habit and crystal structure modification

D. Aquilano and L. Pastero

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Tuning of micro α-quartz crystals morphology by low hydrothermal synthesis methods

D. Aquilano, L. Pastero, R. Leinardi, F. Turci, M. Ghiazza and B. Fubini

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New modules for PiMS: data tracking of crystal-handling protocols

E. J. Daniel, R. Harijan, G. Onwukwe, R. K. Wierenga, J. M. Diprose, I. M. Berry, R. M. Esnouf, D. I. Stuart, K. Wilson, B. Lin and C. Morris

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X-ray Laue and Bragg diffraction on oxygen precipitates in annealed CZ-Si wafers

M. Meduňa, O. Caha, M. Svoboda and J. Buršík

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The use of polystyrene organic-based gels for the diffraction quality single-crystal growth of small molecules

L. Menéndez-Taboada, L. Roces, A. P. Soto and S. García-Granda

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Broad solvent compatibility of polystyrene-functionalised polystyrene gels for single-crystal growth of small molecules

L. Roces, L. Menéndez-Taboada, A. P. Soto and S. García-Granda

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Crystallization of the photosynthetic core complex of Blastochloris viridis

E. A. Johansson, W. Y. Wahlgren, I. Lundholm, L. C. Johansson, A. B. Wöhri and G. Katona

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CCP4 6.3 – new and improved software tools for macromolecular crystallography

V. Uski, C. Ballard, R. Keegan, E. Krissinel, A. Lebedev, D. Waterman and M. Wojdyr

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Quantification of TiO₂ nanoparticles in samples of crystalline TiO₂

R. Birkedal and K. A. Jensen

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Setting high-resolution limits for anisotropic data

M. Vollmar, G. Murshudov and F. von Delft

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Highly-oriented and stressed nanocrystalline ZnO films prepared by pulsed laser deposition

R. Kužel, J. Čižek and M. Novotný

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Simulation of X-ray diffraction line broadening caused by stress gradients and determination of surface stress distribution by Fourier analysis

V. I. Monin, J. T. Assis and S. M. Iglesias

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Effect of Cr-doping on structural, magnetic and electrical transport properties of La_0.67Ba_0.33Mn_1−xCr_xO₃ (0 ≤ x ≤ 0.1 ) perovskites manganites

M. Oumezzine, O. Peńa, S. Kallel, T. Guizouarn and M. Oumezzine

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Recognizing the better solutions in powder charge-flipping runs

D. Šišak, L. B. McCusker and C. Baerlocher

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Symmetry groups in Moroccan geometric patterns achieved on wood

Y. Aboufadil, A. Thalal, J. Benatia, A. Jali and M. A. E. Raghni

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X-ray-induced overall structural changes in a protein molecule at cryogenic temperatures

T. Petrova, V. Lunin, S. Ginell, A. Mitschler, Y. Kim, G. Joachimiak, A. Cousido-Siah, I. Hazemann, A. Podjarny, K. Lazarski and A. Joachimiak

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Crystallographic orientations and mechanical properties of metals

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The ARP/wARP model-building suite and the Arpnavigator user interface

T. Wiegels, S. Hazledine and V. Lamzin

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Nanopositioning at beamline P11 at PETRA III

P. Fischer, B. Reime, N. Stuebe, T. Pakendorf and A. Meents

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BioStruct – Norwegian graduate school in structural biology

A. O. Smalås and V. Os

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A variety of techniques to asses particle size using a laboratory X-ray diffractometer

J. A. Gertenbach and M. Sommariva

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High-brightness X-ray sources for biological crystallography

J. Graf, A. Kleine, C. Michaelsen, C. Ollinger, J. Lange and O. Hemberg

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The testing of modern diffractometers for type approval

L. K. Isaev, B. N. Kodess and S. A. Kononogov

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The bio-imaging and diffraction beamline P11 at PETRA III

A. Meents, B. Reime, T. Pakendorf, P. Fischer, J. Roever, N. Stuebe and J. Meyer

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Two- and three-dimensional analytical X-ray techniques for analysis of crystalline materials

H. te Nijenhuis, F. Masiello and D. Götz

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Advances

Recently published Advances articles are given below.

Interpretation of angular symmetries in electron nanodiffraction patterns from thin amorphous specimens. A. C. Y. Liu, G. R. Lumpkin, T. C. Petersen, J. Etheridge & L. Bourgeois (2015). Acta Cryst. A71, doi:10.1107/S2053273315011845.

Identification of inversion domains in KTiOPO₄ via resonant X-ray diffraction. F. Fabrizi, P. A. Thomas, G. Nisbet & S. P. Collins (2015). Acta Cryst. A71, 361-367.

Partial order among the 14 Bravais types of lattices: basics and applications. H. Grimmer (2015). Acta Cryst. A71, 143-149.

SHELXT - Integrated space-group and crystal-structure determination. G. M. Sheldrick (2015). Acta Cryst. A71, 3-8.

Special issues

Mathematical Crystallography

Bragg centennial issue

Laue centennial issue

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