Acta Crystallographica Section A
Acta Crystallographica
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FOUNDATIONS
ADVANCES

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