Acta Crystallographica Section A
Acta Crystallographica
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Volume 69| Part a1

ISSN: 2053-2733

August 2013 issue

Abstracts of the 28th European Crystallography Meeting

Warwick, United Kingdom, 25-29 August 2013

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abstracts

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Quasi-periodic materials – crystals redefined

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William and Lawrence Bragg: time for resurrection!

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Phasing crystals with single atoms: a century of progress

A. J. McCoy and R. J. Read

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100 years of X-ray crystallography – the continuing Bragg legacy

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In situ structural studies under extreme conditions: the precision frontier

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Chaperones for the folding, assembly and activation of RuBisCO

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Imaging nanoparticles using coherent diffraction

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What a synthetic chemist learns from charge density

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The brain as a validation tool

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How structural studies may underpin enantioselective catalysis

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Solving the structure of nanostructured materials using focused electron beams

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Multi-crystal native SAD analysis of macromolecular structure

W. A. Hendrickson and Q. Liu

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Charge flipping and Co.: dual-space algorithms in crystallography

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Thin-film solar cells: crystallography from A to Z

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X-ray FEL instrumentation for structure and dynamics of biomolecules

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The Verwey structure of magnetite – from crystals to powders to microcrystals

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Single crystals on the move: kinematic analysis of thermosalient and photosalient phenomena

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Structure of bacterial and yeast ribosome

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Building responsive metal–organic frameworks: modifying properties by structure

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PDF of nanocrystals

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Free electron laser radiation and in vivo grown nano-crystals open new routes in structural biology and options for time-resolved experiments

L. Redecke, Ch. Betzel, D. Rehders, K. Nass, D. P. DePonte, T. White, M. Duszenko, J. Spence, P. Fromme, I. Schlichting and H. Chapman

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Single-particle structure and dynamics

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Using a non-monochromatic microbeam for serial snapshot crystallography

C. Dejoie, L. B. McCusker, C. Baerlocher, R. Abela, B. Patterson, M. Kunz and N. Tamura

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Dynamic structural science: diffraction methods

J. Trincao, J. Christensen and M. L. Hamilton

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Coherent diffraction imaging for spherical biological particles

A. Nakagawa, A. Higashiura, K. Iwasaki, M. Murakami, E. Yamashita, K. Takeda, Yu Hirano, Y. Hanazono, K. Takaba, M. Hibi, Y. Tomisaki and K. Miki

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Automated processing of datasets obtained from multiple crystals

R. J. Gildea, G. Winter and G. Evans

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Getting more out of your diffraction experiment: complementary methods and new data-collection strategies at synchrotron sources

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Data-collection options at the macromolecular crystallography beamline I04 at Diamond Light Source

R. Flaig, P. Romano and D. Hall

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Possible cationic ordering in bismuth oxide phosphates

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

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Unlocking the mysteries of chromatin modifying complexes

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Unravelling the structure of the human 26S proteasome: a hybrid approach

P. C. A. da Fonseca and E. P. Morris

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SAXS studies of protein solutions using high-brilliance clean beam and low-background camera

N. Galatanu, S. Rodrigues, P. Panine, M. Fernandez, F. Bossan, P. Hoghoj, B. Lantz and R. Mahe

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A structural and biophysical comparison between the extra-cellular domains from the mammalian peptide transporters, PepT1 and PepT2

J. Beale, L. Bird, S. Newstead and R. Owens

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In situ plate screening to evaluate the dehydration effect on protein crystals

P. Aller, A. Douangamath, P. Lukacik, J. Sanchez-Weatherby, I. Moraes and J. Brandao-Neto

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Using PHASER for phasing in conjunction with wide-convergence refinement and model building techniques

A. J. McCoy, G. Bunkoczi, R. D. Oeffner, T. C. Terwilliger, M. Sammito, C. Millan, I. Uson and R. J. Read

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Macromolecular refinement at low resolution with REFMAC5 and ProSMART

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

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Representing φ/ψ dependency of a variable as a continuous function

D. E. Tronrud and P. A. Karplus

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AMPLE – using de novo protein structure modelling techniques to create and enhance search models for use in molecular replacement

R. Keegan, J. Bibby, J. Thomas, D. Rigden and M. Winn

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A combined method for automatic structure solution of proteins of unknown fold

P. Skubak and N. S. Pannu

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First structural insights into insulin–insulin receptor complex

A. M. Brzozowski

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The molecular basis of phosphate discrimination in arsenate-rich environments

M. Elias, A. Wellner, K. Goldin-Azulay, E. Chabriere, J. A. Vorholt, T. J. Erb and D. S. Tawfik

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Insights into the mutations that cause mucopolysaccharidosis I (MPS I) based on the structure and mechanism of α-L-iduronidase

M. James, H. Bie, E. Goddard-Borger, X. He, A. Kermode, S. Withers and J. Yin

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The protein–protein interactions that govern motility in Mycoplasma genitalium

B. Calisto, L. Martinelli, M. Ratera, A. Broto, L. Garcia, L. Gonzalez, J. Piñol, I. Fita and D. de Sanctis

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A novel cellulase for biofuels production: structure of a marine GH7 cellobiohydrolase

J. E. McGeehan, S. D. Streeter, R. N. A. Martin, A. Etxabe, G. P. Malyon, S. M. Cragg, M. Kern, K. Besser, L. Elias, W. Eborall, N. C. Bruce, S. J. McQueen-Mason, C. M. Payne, G. T. Beckham, M. E. Himmel and K. Schnorr

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Structure of the RNA-bound eukaryotic exosome complex

D. L. Makino, M. Baumgärtner and E. Conti

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Crystal structure of Prp8 and its implications for the spliceosomal active site

W. P. Galej, C. Oubridge, A. J. Newman and K. Nagai

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Elucidation of the ScaC cohesin to ScaB dockerin Type I protein:protein interactions in Acetivibrio cellulolyticus

S. Najmudin, K. Cameron, V. D. Alves, P. Bule, L. M. A. Ferreira, H. J. Gilbert, E. A. Bayer and C. M. G. A. Fontes

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Structural studies of proteins involved in ER-associated protein degradation

U. Heinemann, A. Arumughan, J. Hanna, Y. Roske, A. Schütz and E. E. Wanker

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Structure of the Mediator head module

L. Larivière, C. Plaschka, M. Seizl, L. Wenzeck, F. Kurth and P. Cramer

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Structure and mechanism of respiratory complex I, a giant molecular proton pump

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Sodium binding sites in voltage-gated sodium channels

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Membrane protein crystallization in lipidic mesophases. The host lipid screen

D. Li, J. A. Lyons, S. T. A. Shah, V. E. Pye, D. Aragão, L. Vogeley, J. Tan and M. Caffrey

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Crystallization of Erg11p – the cytochrome P450 target of triazole antifungals

F. U. Huschmann, T. M. Tomasiak, M. V. Keniya, J. D. OC. III, S. R. Luckner, K. Krause, R. D. Cannon, J. Finer-Moore, R. M. Stroud, J. D. A. Tyndall and B. C. Monk

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Structures of the nuclear membrane protease ZMPSTE24 explain premature aging mutations

A. Quigley, Y. Y. Dong, A. Pike, L. Dong, N. Burgess-Brown and L. Carpenter

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Cooperative assemblies of oncogenic receptor tyrosine kinases

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The Cop9 signalosome: activity and regulation

A. Echalier, M. Birol, F. Hoh, Y. Yang, A. Padilla and C. Dumas

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Structure of the Legionella effector AnkX, an enzyme that diverts the small GTPase Rab1

V. Campanacci, S. Mukherjee, C. R. Roy and J. Cherfils

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Cooperation of the PARP1 zinc-finger domains in recognising DNA strand breaks

A. W. Oliver, A. A. E. Ali, G. Timinszky, R. Arribas-Bosacoma, M. Kozlowski, P. O. Hassa, M. Hassler, A. G. Ladurner and L. H. Pearl

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Crystal structures of fungal velvet regulators reveal an unexpected similarity to NF-κB

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A bZip transcription factor with homo/heterodimer-induced DNA-binding preference

M. Wilmanns, L. Consani-Textor and V. Pogenberg

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Structural studies of rolling-circle replication initiator proteins

S. B. Carr, L. B. Mecia, A. J. Stelfox, C. D. Thomas and S. E. V. Phillips

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Structural analysis of the bacterial RM controller protein, C.Esp1396I, in complex with DNA

R. N. A. Martin, J. E. McGeehan and G. G. Kneale

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Recent developments in SHELX

G. M. Sheldrick

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Evaluation of molecular crystal structures using full interaction maps

T. S. G. Olsson, P. A. Wood and C. R. Groom

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Monomer restraint library for supramolecular crystallography

J. J. Holstein, C. Browne, O. S. Smart and G. Bricogne

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Advances in data quality in area-detector diffraction experiments

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The long-wavelength macromolecular crystallography beamline at Diamond Light Source

R. Duman, V. Mykhaylyk and A. Wagner

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Layered molecular structures: the crystal chemistry of the twin interface

B. Stöger, D. Lumpi and P. Kautny

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Dupond, Dupont ou Dupondt? Jumeaux ou sosies? Dealing with extra lattices

H. Powell, A. Leslie, P. Evans, G. Murshudov and O. Johnson

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Homometric structures that result from data collection using powder diffraction

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Cracked crystals: an integration challenge

M. Lutz, L. M. J. Kroon-Batenburg and A. M. M. Schreurs

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Structure of arylamine N-acetyltransferase from M. tuberculosis: triumph over adversity

A. Abuhammad, E. D. Lowe, M. A. McDonough, E. Sim and E. F. Garman

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More haste and more speed: outrunning damage in room temperature MX

R. L. Owen, N. Paterson, D. Axford and G. Evans

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Get the most out of your precious crystal with three-dimensional dose modeling

O. B. Zeldin, M. Gerstel, S. Brockhauser, J. Bremridge and E. F. Garman

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X-ray induced disulfide bond cleavage studied with EPR, optical absorption and X-ray diffraction

E. H. Snell, K. A. Sutton, P. Black, K. R. Mercer, E. F. Garman, R. L. Owen and W. A. Bernhard

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Phasing selenomethionine proteins using UV-induced radiation damage

S. Panjikar and D. de Sanctis

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Mechanisms of ligand discrimination in cytochrome c′

D. Kekilli, C. R. Andrew, S. V. Antonyuk, R. W. Strange, R. R. Eady, S. S. Hasnain and M. A. Hough

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Experimental spin-resolved electron densities: results of a joint refinement of XRD and PND data

M. Deutsch, N. Claiser, B. Gillon, J.-M. Gillet, C. Lecomte, D. Luneau and M. Souhassou

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Combining ab initio lattice dynamics and diffraction measurements in charge-density studies

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Revealing noncovalent interactions in quantum crystallography

M. P. Waller and J. Yang

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Structural systematics of anion–receptor complexes: insights from electron-density distributions

I. L. Kirby, M. Brightwell, M. B. Pitak, H. A. Sparkes, M. Wenzel, C. Wilson, S. J. Coles and P. A. Gale

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Dithiazyl radicals – structures and charge densities of their crystals and cocrystals

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

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Magnetic structures determined using Shubnikov space and superspace groups: implementation in JANA2006

V. Petříček and M. Dušek

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Epitaxy on quasicrystals: rotational epitaxy to single-element quasicrystalline multilayers

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Irreducible representations for generating (3+d)-dimensional modulated structures

H. T. Stokes and B. J. Campbell

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Molecular modulated structures: rare today, ubiquitous tomorrow?

K. E. Christensen, E. J. Mckinley and A. L. Thompson

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Crystal chemistry of new low-dimensional ferromagnetic oxides: influence of aperiodicity and cationic ordering on the magnetic properties

R. David, H. Kabbour, A. Pautrat, S. Colis and O. Mentré

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Modulated structures and microscopes: from doped bismuth ferrites to nano-chessboards

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Aperiodic structures related to Aurivillius phases solved by precession electron diffraction

P. Boullay, G. Mouillard, N. Barrier and L. Palatinus

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Structure analysis of approximants for quasicrystals with three-dimensional electron diffraction tomography

Y. Ma, P. Oleynikov, N. Fujita, F. J. García, T. Ishimasa and O. Teresakia

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Sr₂₅Fe₃₀O₇₇: a modulated structure solved by electron diffraction

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Effect of lone-pair cations on the orientation of crystallographic shear planes in anion-deficient perovskites

D. Batuk, M. Batuk, A. M. Abakumov, A. A. Tsirlin, C. McCammon, L. Dubrovinsky and J. Hadermann

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Automated electron diffraction tomography (ADT) and X-ray powder diffraction for structure characterization of layered materials

U. Kolb, E. Mugnaioli, G. Matveeva, T. E. Gorelik and I. Andrusenko

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Combining X-rays and electrons to characterise disordered inorganic materials

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Combining TEM and synchrotron microdiffraction – a novel lead antimony sulfide telluride, and more examples

O. Oeckler, F. Fahrnbauer, T. Rosenthal, T. Schmutzler and G. Wagner

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Complex Sr_64.1Bi_27.7Ni_8.2O_x revisited and refined

H. Klein, M. Bacia, A. Rageau, P. Strobel, M. Gemmi, V. Pankov and L. Makhnach

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PKU-14: combining X-ray powder diffraction, NMR and IR spectroscopy

J. Su, J. Liang, Y. Wang, A. K. Inge, J. Sun, X. Zou and J. Lin

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Single-crystal diffraction from powders

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Electron crystallography of molecular crystals

T. E. Gorelik, G. Matveeva and U. Kolb

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Identification and structure solution of ordered U(Al_x,Si_1−x)₃ phase

L. Meshi, G. Rafaelov and I. Dahan

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Determining symmetry of ferroelectric oxides at the nanometre scale using 'digital' electron diffraction

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

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Using FOCUS and Superflip to solve structures from three-dimensional electron and powder diffraction data

S. Smeets, L. B. McCusker, C. Baerlocher, E. Mugnaioli and U. Kolb

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Prediction of new structural arrangements and chemical compositions in Ti silicates

F. Cámara and E. Sokolova

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Structural variations of olivine-type phosphates: a good example of how minerals can inspire the development of new materials

F. Hatert, F. Dal Bo and M. Baijot

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Negative linear compressibility in molecular framework materials

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A polysomatic series of two-dimensional vanadates, arsenates and phosphates

O. V. Yakubovich, E. V. Yakovleva and G. V. Kirjukhina

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New TEM techniques for solving three-dimensional structures of nanosized and/or intergrown zeolites and minerals

X. Zou, T. Willhammar, Y. Yun, H. Chen, W. Wan, J. Su and J. Sun

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Examples of ordered or disordered ternary intermetallics containing rare earth elements and transition metals

E. Gaudin, J. L. Bobet, S. Tencé, S. Couillaud and B. Chevalie

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Influence of 'lone-pair' cations (Pb²⁺, Tl⁺) on geometry and dimensionality of oxysalt inorganic compounds

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Crystal structures and stability of LiCeF₅ and LiThF₅ at high pressures

A. Grzechnik, C. C. Underwood, J. W. Kolis and K. Friese

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Novel silicates with apatite crystal structure type

M. Wierzbicka-Wieczorek and G. Giester

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Structural variety of novel Pb and Bi selenites

V. M. Kovrugin, O. I. Siidra, O. Mentré and S. V. Krivovichev

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Structural consequences of pressure-induced electronic transitions in iron compounds

G. Kh. Rozenberg, W. M. Xu, M. P. Pasternak and L. S. Dubrovinsky

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High-pressure studies of lattice dynamics and magnetism by nuclear resonance scattering

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Crystal chemistry of silicate perovskite and postperovskite from in situ single-crystal X-ray diffraction

L. Dubrovinsky, E. Bykova, K. Glazyrin, T. B. Ballaran, C. McCammon, A. Kantor, M. Merlini, M. Hanfland, A. Chumakov and N. Dubrovinskaia

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A neutron diffraction study of the ergodic transition in sodium bismuth titanate

D. S. Keeble, D. I. Woodward and P. A. Thomas

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Incommensurate host–guest structures in compressed elements: Hume–Rothery effects as origin

V. F. Degtyareva

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Serial femtosecond crystallography of membrane proteins with a lipidic cubic phase injector

U. Weierstall, D. James, D. Wang, J. C. H. Spence, R. B. Doak, P. Fromme, M. Caffrey and V. Cherezov

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Automated processing of datasets obtained from multiple crystals

R. J. Gildea, G. Winter and G. Evans

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The single particles, clusters and biomolecules (SPB) instrument at the European XFEL

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X-ray scattering of the Pt hexahalides of Cl, Br and I and Ta₆Br₁₂ for XFEL

J. R. Helliwell

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EMBL beamlines for macromolecular crystallography at PETRA III

T. R. Schneider, G. Bourenkov, M. Cianci, J. Kallio, G. Pompidor and S. Fiedler

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Direct three-dimensional atomic imaging by means of electron diffraction patterns

T. Lühr, A. Winkelmann, G. Nolze and C. Westphal

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Coherent X-ray diffraction from single nanowires

A. Davtyan, A. Biermanns, O. Loffeld and U. Pietsch

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Recent developments on beamline I02 at the Diamond Light Source

J. Sandy, C. Lobley, M. Mazzorana, J. Sanchez-Weatherby and T. Sorensen

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Hydrates of small organic molecules – insights into their formation and stability

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Co-crystal screening and other potential applications of COSMO-RS for crystallography

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The road not taken: the crystal energy landscape as an interpretive tool

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Mapping crystalline molecular geometries to the conformational energy landscape

H. P. G. Thompson and G. M. Day

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Reliable modelling of stability and polymorphism of molecular crystals with many-body van der Waals interactions

A. M. Reilly and A. Tkatchenko

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Flexibility and chemical transformations in network and framework materials

L. Brammer, I. J. V. Yrezábal, P. Smart, J. R. Loader and A. J. H. M. Meijer

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Multi-component molecular materials: design, properties, crystallisation, manufacture

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Structure and properties of robust bipyrazolato-based coordination polymers

S. Galli, A. Maspero, C. Giacobbe, N. Masciocchi and A. Comotti

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Influence of chemical and crystallographic environment on solid-state proton transfer

C. C. Seaton, T. Munshi, S. E. Williams and I. J. Scowen

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Organic salts: the nemesis of crystal engineering and prediction?

P. A. Wood, E. Pidcock, N. Feeder and P. T. A. Galek

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Tailoring molecular recognition among porphyrin tectons

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Purely organic frameworks self-assembled via orthogonal hydrogen and halogen bonding

G. Terraneo, L. Colombo, G. Cavallo, P. Metrangolo, T. Pilati and G. Resnati

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Chiral discrimination in the solid-state – molecular interactions in inclusion compounds and diastereomeric salts of cinchona alkaloids

N. B. Báthori and L. R. Nassimbeni

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Appearance is deceptive. Pair-wise energy analysis of packing motifs in molecular complexes

D. S.Yufit, O. V. Shishkin, R. I. Zubatyuk and J. A. K. Howard

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Crystallographic evidences of the nature of homopolar H⋯H interactions

M. Lusi and J. Bernstein

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Strain broadening effects in nanostructured materials

A. Leonardi and P. Scardi

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Phase transformations on nanometre scale

D. Rafaja, C. Wüstefeld, C. Schimpf and M. Motylenko

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Strain characterisation in nanocrystalline ceramics: the laser pump-probe technique

M. E. Jones, S. Fearn, R. Winter, A. Lennie, J. Parker, S. Thompson and C. Tang

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The structure and ordering processes of MoS₂-based layered systems

I. S. Bushmarinov, A. S. Goloveshkin and A. S. Golub

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Residual strain in ∊-Fe₂O₃ nanoparticles embedded in SiO₂ matrix

P. Brazda, P. Bezdicka, D. Niznansky and J. Vejpravova

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Watching materials form: in situ total scattering studies of nanoparticle synthesis

K. M. O. Jensen, C. Tyrsted, M. Christensen, E. D. Bøjesen, N. Lock, S. Billinge and B. B. Iversen

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In situ crystallographic studies of adsorption processes in functional porous materials

P. K. Allan, K. W. Chapman, C. L. Renouf, P. J. Chupas, S. J. Teat, E. K. Howe, J. A. Hriljac, C. P. Grey and R. E. Morris

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3D-PDF as a framework for comparing different local ordering models in single crystals

A. Simonov, T. Weber and W. Steurer

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Jahn–Teller symmetry switching in LaMnO₃

C. A. Young, E. O. R. Beake, F. D. Romero, L. D. Connor, T. E. Proffen, M. G. Tucker, D. A. Keen, M. A. Hayward and A. L. Goodwin

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Total scattering structure–microstructure study of Fe₃O₄/γ-Fe₂O₃ nanoparticles

A. Cervellino, R. Frison, G. Cernuto, N. Masciocchi, G. M. Colonna and A. Guagliardi

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Structural features of thermoelectric materials

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Thermoresponsive behaviour of interesting phosphate-based functional materials

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Oxide ion conductors for energy applications: twists and hops in the solid state

I. Radosavljević Evans, X. Kuang, J. L. Payne, J. D. Farrell and M. R. Johnson

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Interstitial oxide ion conduction in (Ln_2−xZr_x)Zr₂O_7+δ (Ln = Nd, Sm)

A. V. Shlyakhtina, D. A. Belov, A. V. Knotko, M. Avdeev, I. V. Kolbanev, A. N. Streletskii and L. G. Shcherbakova

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About the first VLD (Vive La Difference) applications

M. C. Burla, B. Carrozzini, G. L. Cascarano, C. Giacovazzo, A. Mazzone and G. Polidori

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Charge-density studies of nitroimidazoles: halogen bonding and solid solution

M. Kubicki, A. Poulain and C. Lecomte

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Guidelines for solving structures of polycrystalline materials using charge flipping

D. S. Jung, L. McCusker and C. Baerlocher

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Prediction of alternative and disordered residues by unrestrained refinement

O. V. Sobolev and V. Y. Lunin

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Charge-density study of [Cu₂(μ₂-I)₂(2,6-dimethylpyridine)₂]

M. Fronc, J. Kožíšek, L. Krivosudsky and J. Šimunek

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Anharmonic motion in experimental charge-density investigations

R. Herbst-Irmer

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Treatment of anharmonic motion in X-ray wavefunction refinement (XWR)

J. M. Bąk, D. Jayatilaka, Y.-S. Chen and S. Grabowsky

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Looking beyond the harmonic approximation. Insights from ab initio molecular orbital calculations

C. A. Morrison and A. M. Reilly

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Comparative study of the electron distribution in 3d orbitals

J. Kožíšek, P. Herich and M. Breza

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Structural, energetic and charge-density investigations of triptycene and its selected derivatives

A. A. Hoser, K. N. Jarzembska, K. Durka, R. Kamiński, T. Ratajczyk, A. O. Madsen, M. J. Gutmann and K. Woźniak

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Towards biophotocrystallography with photooxidisable ruthenium polypyridyl complexes

C. J. Cardin and J. P. Hall

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Exciting 'stuff': modelling photochemical reactions in the condensed phase. Applications in time-resolved diffraction

C. A. Morrison and M. A. Kochman

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Crystallographic studies of spin crossover in [Fe(abpt)₂(NCS)₂] polymorphs

H. E. Mason and H. A. Sparkes

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Photocrystallographic studies of novel metal–nitrite compounds

L. E. Hatcher and P. R. Raithby

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Alternative criteria for optimal data-collection strategy

P. Parois and R. I. Cooper

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Single-crystal diffraction at extreme conditions on synchrotron sources

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High-pressure behavior of single-crystal and nanocrystalline ZnO studied with XRD and BS

V. B. Prakapenka, I. Kantor, A. Kantor, P. Dera, K. Zhuravlev and S. Tkachev

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There and back again: polytypism and high-pressure re-entrant behaviour in a gold(I) trimer

C. H. Woodall, J. Christensen, A. Walsh, C. Beavers and P. Raithby

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X-ray diffraction and Raman spectroscopic study of structural changes at extreme conditions

B. Zakharov, B. Kolesov and E. Boldyreva

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Laboratory data collection using a pixel detector: application to ms time-resolved crystallography

E. Wenger, P. Allé, P. Parois, P. Fertey, C. Lecomte and D. Schaniel

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Two-component organic crystals at high pressure

E. V. Boldyreva

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Bonding and phase change in ammonia borane and lithium amidoborane under high pressure

J. Chen, S. Najiba, Y. Sun and X. Liu

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Volumetric measurements in high-pressure crystallography

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Pressure-induced polymorphism in small-molecule acrylic acids

I. B. Hutchison, A. Delori and I. D. H. Oswald

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The effect of solvent and pressure on the post-synthetic modification of a metal-organic framework

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

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Real-time growth analysis of thin-film semiconductors by in situ diffraction and fluorescence

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Surface-induced crystal structures for organic electronic applications: thin-film growth and structure solution

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In situ neutron diffraction on ferroelectrics under electric field

M. Hoelzel, M. Hinterstein, H. Kungl, W. Io, C. Randau, W. Gan and H. Fuess

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X-ray diffraction in situ study of crystallization of titania thin films

R. Kužel, A. Kadlecová, L. Nichtová, Z. Matěj and S. Kment

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Thermal stability of metastable fcc-(Ti,Al)N in atoms that should compensate the local lattice nanoscaled TiN/(Ti,Al)N/AlN multilayers strains caused by the fluctuations of the [Ti]/([Ti]+[Al]) ratio

U. Ratayski, M. Motylenko, M. Šíma, C. Baehtz and D. Rafaja

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Direct observation of charge-density wave order, competing with superconductivity in YBCO, revealed by high magnetic fields

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Exploration of novel field-induced phases via neutron diffraction at high magnetic fields

P. Manuel, D. D. Khalyavin and N. Terada

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Magnetic structure solution of frustrated spin systems

J. Paddison and A. Goodwin

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Nuclear and magnetic structure of HoNi₂B₂C at room temperature and 2.2 K

K. Friese, V. Hutanu, M. Meven, A. Sazonov and O. Zaharko

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Structural chemistry and magnetism of transition metal oxyselenides Ln₂O₂Fe₂OSe₂

E. E. McCabe, C. Stock, E. E. Rodriguez, A. S. Wills, M. A. Green and J. S. O. Evans

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New modular oxide structures through the use of lone-pair cations as 'chemical scissors'

J. Hadermann, M. Batuk, D. Batuk and A. M. Abakumov

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Structural analysis of twinning: the example of melilite

M. Nespolo, M.-A. Marzouki and B. Souvignier

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Synthesis, superstructure and vacancy ordering in 2H-Cu_0.52TaSe₂

S. I. Ali and S. van Smaalen

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Symmetrical structures of nonintersecting cylinders

M. Moore and Y. Teshima

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Stacking faults in the cobalt tellurium oxo phosphate chloride Co₂Te₃O₆(PO₄)Cl

I. Zimmermann and M. Johnsson

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Solid-state reactions by milling and aging: diversity of reactions and opportunities for reaction monitoring

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Solar-powered nano-mechanical molecular transduction in molecular rotors

J. M. Cole and S. O. Sylvester

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Correlated disorder and structured nanodomains in group 4 MOFs

M. J. Cliffe and A. L. Goodwin

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Ultrafast electron microscopy: a new tool to study chemical dynamics at the nanoscale

R. M. van der Veen

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Role of interfacial energy and crystallographic orientation on the mechanism of the ZnO + Al₂O₃ → ZnAl₂O₄ solid-state reaction

S. C. Tarantino, P. Ghigna, S. Pin, G. Spinolo and M. Zema

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p-Carboxylatocalix[4]arenes: controlled self- and metal-directed assembly

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Solid-state molecular recognition for supramolecular sensing

C. Massera, T. Barboza, E. Biavardi, F. Ugozzoli and E. Dalcanale

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Assembling pore networks in organic cage structures using molecular recognition

S. Y. Chong, T. Hasell, M. E. Briggs, K. E. Jelfs, M. A. Little, M. Schmidtmann and A. I. Cooper

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The effect of water on the outcome of mechanical treatment in L-serine-oxalic acid system

E. A. Losev and E. V. Boldyreva

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How metallation affects solid-state conformation and assembly of hexameric cyclic peptoids

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

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The effect of impurities and solvent viscosity on protein crystal growth

D. Maes, M. Sleutel, A. van Driessche, J. Lutsko and P. G. Vekilov

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GuideX: a systematic approach to managing and archiving crystallization data

T. Wagner, B. Rode, C. Meyer, E. Görlach, I. Dix, J. Patel and P. Piechon

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Protein crystallization controlled by special adhesion molecules

J. Hašek, T. Skálová, J. Dušková, T. Kovaĺ, P. Kolenko, J. Stránsky and J. Dohnálek

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A mounting method for fragile protein crystals using humid air and glue coating

T. Kumasaka and S. Baba

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I am a protein crystal: get me out of here!

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Analysis of clay minerals in the fine art as a part of provenance studies

P. Bezdička, J. Hradilová and D. Hradil

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Application of crystallographic methods to the study of paintings and archaeolgical objects

A. Rafalska-Łasocha, W. Łasocha, M. Grzesiak-Nowak, A. Pawlak and E. Nosek

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Crystal structure refinement in polished thin sections by synchrotron tts microdiffraction

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

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Light reading: engagement with science through creative writing

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Primo Levi, William Henry Bragg and the atomic theory of matter

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Using the crystallography history as a tool for crystallography and science education

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From crystal growing competitions worldwide to a worldwide crystal growing competition

L. Van Meervelt

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Crystallography for the people

Young Crystallographers Group

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IYCr2014: Spanish program within the European and international framework

S. García-Granda and L. Roces

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International summer schools in crystallography in Italy: a long-lasting and still vital tradition of the AIC

M. Zema, A. Guagliardi, R. Berisio, S. Galli, M. Milanesio and A. Moliterni

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Crystallography in Europe in the 1970s - birth of the European Crystallographic Committee

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International summer schools in crystallography in Italy: a long-lasting and still vital tradition of the AIC

M. Zema, A. Guagliardi, R. Berisio, S. Galli, M. Milanesio and A. Moliterni

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ECA recent history: from Leuven to Rovinj and before

S. García-Granda

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Crystallography in Africa

J. C. A. Boeyens

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European Crystallographic Meetings: an American's view

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Measurement and reduction of diffuse scattering data

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Superspace formalism: the Swiss army knife of the crystallographer

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Shutterless CMOS detector data processing using the Bruker APEX2 and PROTEUM2 software suites

M. Adam, H. Ott, S. Freisz, J. Kaercher, G. Wachter and L. Stephen

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To deuterate or not to deuterate? That is the question

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New features in SIR2011

G. L. Cascarano, B. Carrozzini, C. Giacovazzo and A. Mazzone

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Macromolecular phasing with SHELXC/D/E starting from very little phase information

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Bilbao Crystallographic Server: new tools and improvements

M. I. Aroyo, J. M. Perez-Mato, E. S. Tasci, G. de la Flor, S. Gallego, L. Elcoroa and G. Madariaga

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BORGES-ARCIMBOLDO exploiting tertiary folds as fragments libraries for phasing

M. Sammito, C. Millán, I. M. de Ilarduya, I. De Marino, K. Meindl and I. Usón

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Powder data indexation by parallel GPU accelerated grid search method

M. Hušák, I. Šimeček and J. Rohlíček

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Microstructure defects in graphitic BN and their impact on the transition to the dense phases

C. Schimpf, M. Motylenko, M. Schwarz, E. Kroke and D. Rafaja

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Solid-state dynamic covalent chemistry: a combined powder X-ray diffraction and chromatography study of mechanochemistry kinetics

G. I. Lampronti, A. Belenguer, J. K. M. Sanders and S. A. T. Redfern

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PCA and DOE analysis of intercalation yield into hydrotalcites by liquid-assisted grinding

M. Milanesio, E. Conterosito, V. Toson, V. Gianotti, L. Palin, G. Croce, C. Barolo, D. Saccone, N. Barbero, G. Magnano, G. Volpi and I. Benesperi

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Crystal growth and influence of the crystal structure characteristics on the shock sensitivities of RDX, HMX and CL-20 nitramine explosives

H. Li, R. Xu, B. Kang, J. Li, X. Zhou and M. Huang

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Gas-solid reactions in non-porous crystalline materials studied by in situ XRPD

I. Vitorica, G. Mínguez and L. Brammer

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Coordinated ligand manipulation of rhenium tricarbonyl reactivity

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

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Coherent diffrction imaging for spherical biological particles

A. Nakagawa, A. Higashiura, K. Iwasaki, M. Murakami, E. Yamashita, K. Takeda, Yu Hirano, Y. Hanazono, K. Takaba, M. Hibi, Y. Tomisaki and K. Miki

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Submicrosecond X-ray crystallography: new technique, challenges and opportunities

S. Gorfman, M. Ziolkowski, M. Angst, S. Adiga, H. Choe, M. al Taani and U. Pietsch

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Developing a set of complementary methods for time-resolved structural studies

A. Pearson, A. Polyakova, B. A. Yorke, D. C. F. Monteiro, J. A. Gowdy, S. L. Warriner, E. Paci, M. E. Webb, G. S. Beddard and R. L. Owen

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In situ plate screening to evaluate the dehydration effect on protein crystals

P. Aller, A. Douangamath, P. Lukacik, J. Sanchez-Weatherby, I. Morae and J. Brandao-Neto

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Automated processing of data sets obtained from multiple crystals

R. Gildea, G. Winter and G. Evans

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HEIMDALLR: a time-of-flight neutron powder diffractometer going beyond today's designs by offering additionally a SANS and an imaging option

S. L. Holm, A. Singh, J. Schefer, K. Lefmann and M. Christensen

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SAXS studies of protein solutions using high-brilliance clean beam and low-background camera

N. Galatanu, S. Rodrigues, P. Panine, M. Fernandez, F. Bossan, P. Hoghoj, B. Lantz and R. Mahe

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Blood lipoproteins: key bio-nanoparticles defying crystallography need hybrid approach

P. Laggner and R. Prassl

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Prediction of alternative and disordered residues by unrestrained refinement

O. Sobolev and V. Y. Lunin

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Nucleic acid auto-tracing with knuspr and RCrane

T. Gruene, S. M. Wette and G. M. Sheldrick

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HKL2MAP. An updated version compatible with SHELX2013

F. Dall'Antonia and T. R. Schneider

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Verification and evaluation of site occupancies using Boolean satisfiability techniques

R. X. Fischer, W. H. Baur, M. Soeken and R. Drechsler

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Guidelines for solving structures of polycrystalline materials using charge flipping

D. S. Jung, L. McCusker and C. Baerlocher

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Reciprocal space clustering of BORGES-ARCIMBOLDO partial solutions: practical cases

C. Millán, M. Sammito, K. Meindl, I. M. de Ilarduya, I. De Marino and I. Usón

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CCP4 web services

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

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ValiFrag: validation of fragments during automated protein model building

J. Pereira, T. Wiegels and V. Lamzin

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Improved estimates of coordinate error for molecular replacement

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

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AMPLE - using de novo protein structure modelling techniques to create and enhance search models for use in molecular replacement

R. Keegan, J. Bibby, J. Thomas, D. Rigden and M. Winn

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DIMPLE - a pipeline for the rapid generation of difference maps from protein crystals with putatively bound ligands

M. Wojdyr, R. Keegan, G. Winter and A. Ashton

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CCP4 6.4, the next step in the MX software development and distribution

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

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Representing φ/ψ-dependency of a variable as a continuous function

D. Tronrud and P. A. Karplus

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NK receptors and ligands with C-type lectine-like fold: structure and function

T. Skálova, P. Kolenko, J. Dušková, T. Koval'', J. Hašek, J. Stránský and J. Dohnálek

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Structure change for substrate recognition in conjugated polyketone reductase

H.-M. Qin, A. Yamamura, T. Miyakawa, M. Kataoka, T. Nagai, N. Kitamura, N. Urano, S. Maruoka, J. Ohtsuka, K. Nagata, S. Shimizu and M. Tanokura

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Crystal structure of a novel enoate reductase in the fatty acid metabolism

F. Hou, T. Miyakawa, S. Kishino, J. Ogawa and M. Tanokura

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Structures of states of a photoconvertible and photoswitchable fluorescent protein engineered from Dronpa

N. N. Bich, B. Moeyaert, J. Hofkens and L. V. Meervelt

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Crystal structure of galactarolactone cycloisomerase from Agrobacterium tumefaciens

H. Taberman, N. Hakulinen, M. Niemi, T. Parkkinen, J. Jänis, M. Andberg, A. Koivula and J. Rouvinen

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Structure-function studies of glycosyl hydrolases

J. Dohnálek, J. Dušková, G. Tiščenko, T. Skálová, P. Kolenko, A. Štěpánková, T. Podzimek, P. Lipovová, J. Hašek and J. Šimůnek

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On the structural features of acetylation of enhanced intracellular survival (Eis) from Mycobacterium tuberculosis by MKP-7: docking study using HADDOCK

H.-J. Yoon, K. H. Kim, J. K. Yang, H. Kim, S. Jang and S. W. Suh

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Structural features and regulatory signs of plant nuclease TBN1

J. Stránský, T. Koval', T. Podzimek, P. Lipovová, A. Týcová, J. Matoušek, P. Kolenko, J. Dušková, T. Skálová, J. Hašek and J. Dohnálek

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Structural characterizations of chloroplast translocon protein Tic110

C.-D. Hsiao, J.-Y. Tsai, C.-C. Chu, Y.-H. Yeh, L.-J. Chen and H.-M. Li

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How Legionella diverts host small GTPases: structural and biochemical studies

J. Cherfils, M. Folly-Klan, E. Alix, C. R. Roy, D. Stalder, B. Antonny and V. Campanacci

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Structural comparison of the head-subdomain of human CD81 large extra-cellular loop

P. Roversi, M. Ondiviela and N. G. A. Abrescia

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Structural studies of rolling circle replication initiator proteins

S. B. Carr, L. B. Mecia, A. J. Stelfox, C. D. Thomas and S. E. V. Philipps

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Structural and functional characterization of the two phosphoinositide binding sites of PROPPINs

K. Kühnel, R. Krick, R. A. Busse, A. Scacioc and M. Thumm

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Structural studies of C-reactive protein

R. Williams, J. A. Moran, I. Burns, T. J. Greenhough and A. K. Shrive

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Multi-way restoration of the function of p53 oncogenic mutants by suppressor mutations

Y. Diskin-Posner, H. Rozenberg, A. Eldar and Z. Shakked

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EMBL beamlines for macromolecular crystallography at PETRA III

T. R. Schneider, G. Bourenkov, M. Cianci, J. Kallio, G. Pompidor and S. Fiedler

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Low-multiplicity sulfur SAD phasing in the home lab

S. Freisz, J. Graf, M. Benning and V. Smith

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Crystal structures of two polysaccharide deacetylases from Bacillus cereus

V. Fadouloglou, T. Aleka, V. Bouriotis, N. Glykos and M. Kokkinidis

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Structural studies of innate immune proteins

R. da Silva, I. Burns, T. J. Greenhough and A. K. Shrive

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The Structural Biology and Genomics Technology Platform at the IGBMC

A. G. McEwen, C. Birck, P. Poussin-Courmontagne, F. Granger, J. Osz-Papai, A. Poterszman, C. Romier, M. Ruff, J. Cavarelli, B. Klaholz, P. Schultz and D. Moras

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Structural basis for the site-specific chemical modification of proteins

S. Schneider, V. Flügel, T. Carell, M. Gattner and M. Vrabel

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Phasing Z-DNA dodecamer using anomalous signal of phosphorus

Z. Luo, M. Dauter and Z. Dauter

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First results from measurements at the new neutron diffractometer BioDiff

T. E. Schrader, A. Ostermann, M. Monkenbusch, B. Laatsch, P. Jüttner, W. Petry and D. Richter

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Data-collection options at the macromolecular crystallography beamline I04 at Diamond Light Source

R. Flaig, P. Romano and D. Hall

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Structural titration of mobile components in the active site of soybean β-amylase with maltose

B. Mikami, H. Kawamura, S. Yamada, A. Tanabe, Y. Kang, K. Mizutani and N. Takahashi

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Supercharged ferritin as a cell delivery platform

T. Beck, M. Kuenzle and D. Hilvert

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Specificity determinants for lysine revealed by the S. aureus MurE structure

K. M. Ruane, D. I. Roper, V. Fülöp, H. Barreteau, A. Boniface, S. Dementin, D. Blanot, D. Mengin-Lecreulx, S. Gobec, A. Dessen, C. G. Dowson and A. J. Lloyd

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A novel cellulase for biofuels production: structure of a marine GH7 cellobiohydrolase

J. E. McGeehan, S. D. Streeter, R. N. A. Martin, A. Etxabe, G. P. Malyon, S. M. Cragg, M. Kern, K. Besser, L. Elias, W. Eborall, N. C. Bruce, S. J. McQueen-Mason, C. M. Payne, G. T. Beckham, M. E. Himmel and K. Schnorr

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Ruthenium complexes bind to DNA with sequence specificity and directional preference

J. P. Hall, K. O'Sullivan, H. Niyazi, G. Winter, T. Sorensen, D. Cardin, J. M. Kelly and C. J. Cardin

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Structure and functional study of tRNA dependent Fem ligases in Staphylococcus aureus

K. A. Fritz, J. Shephard, A. J. Lloyd and D. I. Roper

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Structure insight of anti-HIV actinohivin in complex with (1,2)mannotriose

F. Zhang, M. M. Hoque, K. Suzuki, M. Tsunoda, Y. Takeda, Y. Ito, H. Tanaka and A. Takénaka

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Understanding proline biosynthesis in Bacillus subtilis

W. A. Stanley, L. Hewitt, C. Rodrigues and R. J. Lewis

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Structural studies on CBS-pyrophosphatase with adenylate ligands

H. Tuominen, A. Salminen, A. Baykov and R. Lahti

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Binding of a G-quadruplex from Streptococcus pneumoniae to [Ru(phen)₂dppz]²⁺

S. P. Gurung, J. P. Hall, C. J. Cardin and J. A. Brazier

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The human immune system versus HIV: a cat and mouse game

A. Fuller, D. K. Cole, P. J. Rizkallah and A. K. Sewell

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The protein-protein interactions that govern motility in Mycoplasma genitalium

B. Calisto, L. Martinelli, M. Ratera, A. Broto, L. Garcia, L. Gonzalez, J. Piñol, I. Fita and D. de Sanctis

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Human IgE flips between two acutely bent structures via an ensemble of extended conformations

N. Drinkwater, B. Cossins, A. H. Keeble, M. Wright, J. M. McDonnell, A. J. Beavil, A. J. Henry and B. J. Sutton

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Structure of the ADP·AlF3 stabilized dark-operative protochlorophyllide oxidoreductase complex

J. Krausze, C. Lange, D. W. Heinz and J. Moser

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Unique structural features of human IgG4 Fc

A. M. Davies, T. Rispens, P.O.-d. Heer, H. J. Gould, R. Jefferis, R. C. Aalberse and B. J. Sutton

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Fragment-based approaches for anti-tuberculosis drug discovery

A. Ryan, O. Eleftheriadou, A. Halman, C. Sieg, S. Keany, A. Ciulli, C. Abell, E. D. Lowe and E. Sim

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Structure of malonyl CoA decarboxylase provides insight in catalysis and disease mutations

D. S. Froese, M. Vollmar, S. Puranik, G. Cannone, P. Savitsky, T. Krojer, E. S. Pilka, W. Kiyani, W. H. Lee, B. D. Marsden, F. von Delft, C. K. Allerston, L. Spagnolo, O. Gileadi, U. Oppermann and W. W. Yue

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Crystal structure of the bacterial type II secretion system secretin/pilotin complex

S. Gu, S. Rehman and R. W. Pickersgill

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Trapping intermediates in biosynthetic pathways and metabolosomes

R. Pickersgill, S. Gu, A. Pang and M. Warren

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Proteins distinguish three structurally distinct ribosomes in eukaryota

W. L. Duax, D. Dziak and A. Merriman

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Structural analysis of Phi11 staphylococcal dUTPase

I. Leveles, V. Kadar, I. Zagyva, A. Bendes, G. Rona, K. Nyiri, V. Nemeth, J. Toth and B. G. Vertessy

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High-resolution analysis of the pyrrole polymerising enzyme porphobilinogen deaminase from Bacillus megaterium

N. Azim, E. Deery, M. J. Warren, P. T. Erskine, J. B. Cooper, S. P. Wood and M. Akhtar

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Crystallization of arylacetonitrilase from Arthoderma benhamie

J. Bláha, A. B. Veselá, D. Illéš, L. Martínková and O. Vaněk

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Protein export in cyanobacteria - a model for organelle protein transport

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

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Structural basis of bacterial recognition by surfactant protein D

A. Shrive, D. Hood, H. Clark, J. Madsen and T. Greenhough

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Recombinant fungal nitrilases - effect of reduction on their structure and function

O. Vaněk, D. Illéš, D. Zawadová, J. Bláha, A. B. Veselá and L. Martínková

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Elucidation of the ScaC cohesin to ScaB dockerin type I protein:protein interactions in Acetivibrio cellulolyticus

S. Najmudin, K. Cameron, V. D. Alves, P. Bule, L. M. A. Ferreira, H. J. Gilbert, E. A. Bayer and C. M. G. A. Fontes

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Challenges and opportunities in structure determination of membrane proteins

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Visualisation of membrane protein crystals in lipid cubic phase using X-ray imaging

A. J. Warren, W. Armour, D. Axford, M. Basham, T. Connolley, D. R. Hall, S. Horrell, K. E. McAuley, V. Mykhaylyk, A. Wagner and G. Evans

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Cardiotonic steroids and the Na⁺/K⁺-ATPase

J. Lindholt, M. Laursen, L. Reinhard, N. Fedosova and P. Nissen

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Visualisation of lipid features in membrane protein crystals by X-ray crystallography

N. D. Drachmann

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Pyrophosphatase, a primary proton pump

Y.-J. Sun, K.-M. Li, C.-E. Hsu, S.-M. Lin, J.-Y. Tsai and R.-L. Pan

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Probing determinants of cyclopiazonic acid sensitivity of bacterial Ca²⁺-ATPases

M. Gorgel, A. Kotsubei, J. P. Morth, P. Nissen and J. L. Andersen

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Structural study of bile acid transporter

Y. Sekiguchi, N. J. Hu, S. Iwata, D. Drew and A. Cameron

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NMR crystallography of membrane proteins

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Structural views on the steroid receptor RNA activator

S. Thore, F. Arieti, T. Huet and C. Gabus-Darlix

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Structural analysis of the bacterial RM controller protein, C.Esp1396I, in complex with DNA

R. N. A. Martin, J. E. McGeehan and G. G. Kneale

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The combination of U1A protein and a G·U pair facilitates RNA-protein crystallization and structure determination

L. Huang and D. M. J. Lilley

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Insights into the mechanism for DNA capture and transport by topoisomerase II provided by the high-resolution structure of an 'open' topoisomerase II-DNA complex

I. Laponogov, D. A. Veselkov, I.M.-T. Crevel, X.-S. Pan, L. M. Fisher and M. R. Sanderson

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Structures and properties of benzimidazole derivatives from invariom modelling

A. Tojiboev, B. Dittrich, N. Mukhamedov and K. Abdireymov

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Size does matter. Alkali metal complexes of a thiophene carboxy-enolate ligand

J. Simpson, L. R. Hanton, C. J. McAdam and S. C. Moratti

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Comparative X-ray structure analyses of 4,5- and 3,6-dialkylsulfanylphthalonitriles of different bulkiness

Y. Zorlu, U. İşçi, U. Kumru, F. Dumoulin and V. Ahsen

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Crystal structure of Na_xP₂W₁₀O₃₄ , the m = 10 member of the series of Na_x(PO₄)₂(WO₃)_2m

A. Benmoussa, W. Bouchelaghem and M.-R. Benloucif

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Internal modes of anisotropic displacements of hydrogen atoms from the invariom database

J. Lübben and B. Dittrich

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Can one use invarioms to place hydrogens for refinement against X-ray data?

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

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Synthesis and structural characterization of a mononuclear Cu^II complex with pyrazole ligands

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

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Proton transfer within two new organic entities

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

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Energy-dispersive in-house Laue diffraction experiments with a Pilatus detector

F. Kurdzesau, A. Simonov, M. Scheebeli, V. Pilipp and T. Weber

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Single crystals on the move: kinematic analysis of thermosalient and photosalient phenomena

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The long-wavelength macromolecular crystallography beamline at Diamond Light Source

R. Duman, V. Mykhaylyk and A. Wagner

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Efficient data collection with software and hardware features from Agilent Technologies

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Advances in data quality in area-detector diffraction experiments

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Stereochemical statistics in Crystallography Open Database

A. Merkys, F. Long, G. N. Murshudov and S. Gražulis

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Recent advances in laboratory X-ray systems for structural biology: sources, detectors and applications

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What happens to symmetry and pseudo-symmetry of molecular crystals on cooling?

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Structural study of two ferrocenyl derivatives with C N groups: FcCH₂CN and FcC(O)CN

J. Perles, D. Nieto, S. Bruña, A. Ma. González-Vadillo and I. Cuadrado

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DXTBX: the diffraction experiment toolbox

J. Parkhurst, A. Brewster, L. Fuentes-Montero, D. Waterman, J. Hattne, N. Echols, G. Evans, N. Sauter and G. Winter

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trans-Bis(perchlorato-κO)tetrakis(1-vinyl-1H-imidazole-κN³)copper(II)

Y. Celik, K. Kucuk, R. Şahin, B. Karabulut, O. Andac and N. Dege

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Handling difficult samples: data-processing improvements

F. White, D. Baker, Z. Gál, O. Presly and M. Meyer

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Monomer restraint library for supramolecular crystallography

J. J. Holstein, C. Browne, O. S. Smart and G. Bricogne

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Two-dimensional algorithms in Dials project

L. Fuentes-Montero, J. Parkhurst, D. Waterman, G. Evans and G. Winter

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New metal aryloxides as ceramic precursors and initiators for ROP

Y. Chérémond and K. M. Fromm

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Internal standard for amorphous quantification of pharmaceuticals

R. S. Nunes, J. S. O. Evans and C. O. Paiva-Santos

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BioMAX: the first MX beamline at MAX IV

M. M. G. M. Thunnissen, D. T. Logan and T. Ursby

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The crystallography endstation at beamline P11 at PETRA III

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

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Evolving facilities for macromolecular crystallography at Diamond Light Source

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PHOTON 100 CMOS detector for chemical crystallography applications

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

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A 1:1 twinned structure that is described equally well in space groups P−1 and P2₁

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X-ray induced disulfide bond cleavage studied with EPR, optical absorption and X-ray diffraction

E. H. Snell, K. A. Sutton, P. Black, K. R. Mercer, E. F. Garman, R. L. Owen and W. A. Bernhard

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Radiation-induced disorder of a protein crystal

T. Petrova, V. Y. 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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Quantitative radiation damage studies in macromolecular X-ray crystallography

M. Gerstel, N. Olekhnovich, J. Brooks-Bartlett, Z. S. Derewenda, C. M. Deane and E. F. Garman

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Diffraction data collection with a dynamically variable beam size

D. Axford, R. Owen and G. Evans

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Exploring relationships between diffracted intensity decay and a new dose metric

J. Brooks-Bartlett, O. B. Zeldin and E. F. Garman

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Charge-density study of ternary copper complex

L. Kucková and J. Kožišek

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Charge-density study of resveratrol (trans-3,4′,5-trihydroxystilbene)

S. Leniková, L. Kuckova, L. Bučinsky, J. Kožišek and P. Herich

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Charge-density study of (CH₃P(Ph)₃)[Ni(bdtCl₂)₂]

P. Herich and J. Kožišek

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Comparative study of the electron distribution in 3d orbitals

J. Kožišek, P. Herich and M. Breza

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Charge-density studies of arsenic(III) oxide

P. A. Guńka, R. Kamiński and J. Zachara

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Dithiazyl radicals – structures and charge densities of their crystals and cocrystals

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

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Charge-density study of [Cu₂(μ₂-I)₂(2,6-dimethylpyridine)₂]

M. Fronc, J. Kožíšek, L. Krivosudský and J. Šimunek

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Structural systematics of anion–receptor complexes: insights from electron-density distributions

I. L. Kirby, M. Brightwell, M. B. Pitak, H. A. Sparkes, M. Wenzel, C. Wilson, S. J. Coles and P. A. Gale

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Structure motif simulation for intermetallic Ni₂In superstructures

C. J. Müller and S. Lidin

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Pushing the limits: determining the average structure in the presence of strong diffuse scattering

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

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Symmetry breakings in aperiodic composite crystals

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

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Real structure of Ge₄Bi₂Te₇: analysis of diffuse scattering with 3D-ΔPDF

P. Urban, A. Simonov, T. Weber and O. Oeckler

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The commensurately modulated structure of trimethyltin hydroxide at 220 K

S. Dey, A. Schönleber and S. van Smaalen

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Computer simulation of diffuse scattering in [Fe(CH₃CN)₄(Pyz)](ClO₄)₂ compound

M. Zubko, J. Kusz, R. Bronisz, M. Weselski and A. Białońska

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Crystal structure of [Fe{5-NO₂-sal-N(1,4,7,10)}] two-step spin-crossover compound

J. Kusz, M. Nowak and P. Gütlich

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Metastable structures in Rb-doped K₂ZnCl₂: new phase transitions due to memory effects

K. Behrendt, J. Leist, H. Gibhardt and G. Eckold

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Molecular modulated structures: rare today, ubiquitous tomorrow?

K. Christensen, E. J. Mckinley and A. L. Thompson

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Modulated structures and microscopes: from doped bismuth ferrites to nano-chessboards

R. Withers and L. Bourgeois

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Looking into the structure of Ge nanocrystals through diffraction

Y. Zhang, A. Karatutlu, O. Ersoy and A. Sapelkin

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Structure refinement based on absorption-corrected RED data

H. Chen and J. Sun

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Solving molecular structures with TALP from diffraction data of limited quality

O. Vallcorba, J. Rius and S. Nicolopoulus

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Crystal structure features of Mn- and Sr-rich eudialyte from Sushina Hill, India

S. M. Aksenov, R. K. Rastsvetaeva, R. H. Mitchell and A. Chakrabarty

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Structural investigations of synthetic members of murataite-pyrochlore polysomatic series

A. S. Pakhomova, S. V. Krivovichev, S. V. Stefanovsky and S. V. Yudintsev

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Possible cationic ordering in bismuth oxide phosphates

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

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Structure and cation environments in the ferroelectric (Ag_xNa_1−x)₂Nb₄O₁₁ solid solution

D. I. Woodward, N. Masó, M. R. Lees, A. R. West and P. A. Thomas

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Structure characterization of bio-mineralogical materials by automated electron diffraction tomography: vaterite and hydroxyapatite

E. Mugnaioli, I. Andrusenko, U. Kolb, M. Panthöfer, W. Tremel and E. F. Brès

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Crystal chemical features of Cr-, Cu- and Ni-bearing tourmalines

O. S. Vereshchagin, O. V. Frank-Kamenetskaya, I. V. Rozhdestvenskaya and A. A. Zolotarev

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Structural examinations of synthetic and natural single crystals of mullite

R. X. Fischer, J. Birkenstock, V. Petříček, B. Pedersen and H. Schneider

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Niobium-rich chevkinite-(Ce) – structural investigations

M. Stachowicz, K. Wozniak, B. Baginski and R. Macdonald

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High-pressure synthesis, crystal structure and prompt gamma activation analysis of B-mullites

R. X. Fischer, H. Lührs, S. Söllradl, J. Konzett and H. Schneider

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New compounds in a Cs–Cu–V–P–O system

L. V. Shvanskaya and O. V. Yakubovich

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Symmetry, cation ordering and diffuse scattering in labuntsovite-group minerals

A. A. Zolotarev and S. V. Krivovichev

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Crystallization conditions of biogenic calcium oxalates with different water content

A. R. Izatulina, O. V. Frank-Kamenetskaya and A. V. Rusakov

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The effect of hydrogen bonding on the uranyl selenate and sulfate crystal structures

V. V. Gurzhiy, S. V. Krivovichev and I. G. Tananaev

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Similarities and pecularities between the crystal structures of the hydrates of sodium sulfates and selenates

S. Kamburov, H. Schmidt, W. Voigt and C. Balarew

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Polytypic modifications of huntite-like rare earth aluminium and gallium borates RM₃(BO₃)₄, where R = Y, Ce, Yb, M = Al, Ga

E. Dobretsova, K. Boldyrev and E. Borovikova

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Ordering of pentavalent cations in columbite–tantalite

S. C. Tarantino and M. Zema

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Laser-induced dynamic strain measurements in granular rocks and minerals

R. Winter, M. E. Jones, S. Fearn, S. Thompson, C. Tang and I. Clark

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4-150-atom Lennard–Jones clusters in intermetallics

A. A. Pankova and V. A. Blatov

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Novel silicates with apatite crystal structure type

M. Wierzbicka-Wieczorek and G. Giester

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Synthesis, structure and properties of A₄O₄TiSe₄: a new series of oxychalcogenides

A. Tuxworth and J. S. O. Evans

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Centre-of-symmetry prediction with the exact probability density function of |E|

M. Kowiel, A. K. Gzella and U. Shmueli

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Geometries of hexanuclear rhenium clusters

M. S. Krawczyk, M. K. Krawczyk, M. Siczek and T. Lis

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Site preference and ordering induced by Au substitution in the γ-brass related complex Au–M–Zn (M = Cr, Mo) phases

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Synthesis and crystal structure of Pb₄(V₃O₈)₂(SeO₃)₃

V. M. Kovrugin, M. Colmont, O. Mentré, O. I. Siidra and S. V. Krivovichev

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Polymorphism peculiarities in Bi₂W_1−xMe_xO_6−y and Bi₂Mo_1−xMe_xO_6−y systems (Me = Nb, Ta, Sb)

E. P. Kharitonova, V. I. Voronkova, A. B. Gagor, A. P. Pietraszko and O. A. Alekseeva

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Low-temperature and high-pressure diffraction of multiferroic MnWO₄

A. Gagor, U. Ruett, M. Daszkiewicz and A. Pietraszko

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Preparation, structural and magnetic properties of SrFe₁₂O₁₉ and Sr₃Co₂Fe₂₄O₄₁ multiferroics

A. Pietraszko, A. Gagor and V. Kinshybalo

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Structural properties of mullite-type Pb(Al_1−xMn_x)BO₄

T. M. Gesing, C. B. Mendive, M. Curti, D. Hansmann, G. Nénert, P. E. Kalita, Lipinska, A. Huq, A. L. Cornelius and M. M. Murshed

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Raman studies on mullite-type PbMBO₄ (M = Al, Ga, Mn, Fe)

M. M. Murshed, M. Curti, D. Hansmann, B. Mendive and Th. M. Gesing

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The decomposition of lead nitrate

R. P. Richardson and D. G. Billing

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Thermoresponsive behaviour of CaBPO₅, SrBPO₅ and H₈Mn₅O₂₀P₄

W. M. Mogodi and D. G. Billing

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High-temperature study of K- and Rb-boroleucite crystal structures by Rietveld method

M. G. Krzhizhanovskaya, R. S. Bubnova, E. S. Derkacheva and S. K. Filatov

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Structure refinement of SmVO₄ at pressures ranging to 10 GPa

W. Paszkowicz, W. Łasocha, W. Nitek, P. Piszora, Y. Cerenius, S. Carlson, B. Bojanowski and H. Dabkowska

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Structural and elastic properties of pseudo-single crystal CMSX-4 and LEK94 up to 1523 K

K. Demtröder, H. Buck, P. Wollgramm, G. Eggeler and J. Schreuer

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Pressure-dependent behaviour and origin of negative thermal expansion in zinc cyanide

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Experimental and theoretical equation of state of DyVO₄ polymorphs

W. Paszkowicz, O. Ermakova, J. López-Solano, A. Mujica, A. Muñoz, R. Minikayev, C. Lathe, S. Gierlotka, I. Nikolaenko and H. Dabkowska

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Dependency of oscillation frequencies of crystalline materials on changing pressure conditions; experimental study versus theoretical calculations

J. M. Ba¸k and N. Tumanow

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Beam conditioning in cutting-edge X-ray analytical equipment

J. Graf, A. Kleine, J. Wiesmann and C. Michaelsen

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The solid and solution states mysteries of rhodium(I) functionalized tropolonato complexes

P. S. E. Bungu, A. Roodt and G. Steyl

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A topological study of three-dimensional hydrogen-bonded frameworks

P. N. Zolotarev and V. A. Blatov

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A survey of PbZr_xTi_1−xO₃ structural models using symmetry mode analysis

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

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Phase behaviour of lithium tartrate framework isomers: kinetic and thermodynamic effects

H.H.-M. Yeung and A. K. Cheetham

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Intricate temperature-induced phase transitions for amino acid quasi-racemates

C. H. Görbitz, P. Karen and N. H. Andersen

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Structural and theoretical studies of two novel sandwich-type two-dimensional silver(I) coordination polymers built up by aromatic and aliphatic dicarboxylic acid

Y. Zorlu, F. Aksakal and H. Can

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Serine co-crystals under extreme P-T conditions

S. G. Arkhipov, B. A. Zakharov and E. V. Boldyreva

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Different structural motifs in Co^II complexes with dicyanamide or tricyanomethanide anions

I. Potočňák, L. Váhovská and S. Vitushkina

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Influence of chemical and crystallographic environment on solid-state proton transfer

C. C. Seaton, T. Munshi, S. E. Williams and I. J. Scowen

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Butterfly cored deca- and hexadecacopper(II) phosphonates

N. Loganathan, V. Chandrasekhar and A. Roodt

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The new sulfido antimonates (Rb/Cs)₃Sb^IIIS₃ and Cs₃Sb^VS₄·H₂O

C. Röhr and L. V. Schindler

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High-entropy alloys

R. Kozak and W. Steurer

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Effect of Fe²⁺ and Fe³⁺ on amino acid adsorption on surfaces of iron oxide

A. Bürger and H. Gies

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Molecular-to-material pathway: a preparation of Ba–Nb oxides from metal–organic framework

J. Popović, M. Jurić, M. Vrankić, L. Androš, A. Šantić and K. Molčanov

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A systematic crystal chemical study of calcium-rich mixed tetrelides

M. Jehle, J. Steckhan and C. Röhr

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Molecular disorder as a tool in the crystal engineering toolkit

L. H. Thomas, C. L. Jones and C. C. Wilson

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Crystal structure studies of new strontium dicarboxylates

M. Grzesiak-Nowak, W. Nitek, A. Rafalska-Łasocha and W. Łasocha

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Screening of 6-propyl-2-thiouracil cocrystals

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

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Multicomponent crystals of lidocaine

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

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Multi-component crystallisation of agrichemicals for continuous manufacturing

K. Robertson and C. C. Wilson

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Geometry-controlled mechanics in metal–organic frameworks

I. E. Collings, M. G. Tucker, D. A. Keen and A. L. Goodwin

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Three novel Cu^II–Mn^II heterobimetallic complexes based on [MnCl₄]²⁻ anion

J. Kuchár, E. Samol'ová and J. Černák

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Engineering hydrogen-bonded architectures of magnesium–organic complexes

L. B. Hamdy, L. H. Thomas and C. C. Wilson

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Supramolecular structure constructed by coordination dimer of pyromellitate ligand

T. Aycan, H. Paşaoğlu and G. Kaştaş

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Coordination dimer of pyromellitic acid based on supramolecular architecture

H. Paşaoğlu, T. Aycan and G. Kaştaş

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Crystal structure studies of a few new octamolybdates

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

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An in situ study of host–guest interactions using a laboratory X-ray diffraction system

J. Gertenbach, M. Sommariva, C. Resch, O. Narygina, H. van Weeren, A. Pein, Y. Filinchuk, V. J. Smith and L. J. Barbour

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A series of isostructural solvates of bromocryptine mesylate and their properties

I. Koupilova, M. Husaka, B. Kratochvil, V. Eigner and A. Jegorov

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Energetic cocrystals – structural studies of nitrotriazolone salts and cocrystals

H. J. Lloyd, S. Corless and C. R. Pulham

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Old materials in the nanoworld: cases of shape and dimensionality control

S. García-Granda

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Surface modification of calcium hydroxyapatite by grafting of etidronic acid

M. Debbabi, M. Othmani and A. Aissa

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Experimental and computational approaches towards solid-form screening of pharmaceuticals

R. M. Bhardwaj, L. S. Price, S. L. Price, S. M. Reutzel-Edens, G. J. Miller, I. D. H. Oswald, B. F. Johnston and A. J. Florence

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MOFs with 5-aminoisophthalate and 4,4′-bipy or a reduced Schiff base dicarboxylate

M. R. J. Elsegood, C. Redshaw and O. Rowe

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Towards tunable optical properties: thermochromism in haloaniline complexes

C. L. Jones, L. H. Thomas and C. C. Wilson

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Layered solid forms and crystalline defects in multi-component continuous crystallisation

A. Klapwijk, L. H. Thomas and C. C. Wilson

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Porous organic cage tectonics

M. A. Little, M. E. Briggs, S. Chong, T. Hasell, K. E. Jelfs, J. T. A. Jones, M. Schmidtmann, D. J. Adams and A. I. Cooper

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Synthesis and structural analysis of cadmium–organic dimers, tetramers and polymers – polymorphism and porosity

C. L. Oliver and A. Husain

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Towards controlling the valance tautomer interconversion character by solvation

C. Pinheiro, M. Ribeiro, D. Stasiw, D. Shultz, P. Pattison and P. Raithby

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Structural investigations on water and tert-butylamine system

L. Dobrzycki, S. Cirkel, P. Taraszewska, R. Boese and M. K. Cyrański

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Pyrrolidine and its hydrates – in situ crystallization, structure and properties

P. Taraszewska, L. Dobrzycki and R. Boese

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Experimental and theoretical studies on a novel [3,2-α]pyrimidine derivative

B. Acar, N. Çalışkan and A. Cukurovali

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Hydrogen-bonding interactions in a zwitterion derivative: insights from crystallographic and theoretical studies

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Probing halogen bonding in porphyrin assemblies

H. M. Titi and I. Goldberg

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Melting of organic salt crystals simulated by molecular dynamics

C. H. Schwalbe and D. L. Rathbone

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'Predicting' crystal forms of pharmaceuticals using hydrogen-bond propensities

E. Nauha and J. Bernstein

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