Acta Crystallographica Section A
Acta Crystallographica
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FOUNDATIONS
ADVANCES

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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Acta Cryst. (2012). A68, s48
doi: 10.1107/S0108767312099084