Acta Crystallographica Section A

Foundations of Crystallography

Volume 60, Supplement (August 2004)

Abstracts of the 22nd European Crystallography Meeting

Budapest, Hungary, 26-31 August 2004

• abstracts

abstracts

 

Electron density determination under not ambient conditions

U. Pietsch

 

Negative thermal expansion materials

J. S. O. Evans

 

Charge densities of periodic and aperiodic crystals as studied by the maximum entropy method

S. van Smaalen and L. Palatinus

 

Microfocus diffraction with X-ray synchrotron radiation

C. Riekel

 

Statistical methods in protein crystallography

R. J. Read, A. J. McCoy and L. C. Storoni

 

Self-reassembly in the organic solid state

J. Atwood, L. J. Barbour and Á. Jerga

 

Spin cross-over complexes: structures and photomagnetism of high spin, low spin and metastable states and the LIESST effect

J. A. K. Howard, V. A. Money, J. Elhaik, M. A. Halcrow, J. Sánchez Costa, S. Marcén and J.-F. Létard

 

Phasing with SHELX

G. M. Sheldrick

 

Quantitative electron diffraction structure analysis

A. Avilov

 

Novel structures in 'simple' metals

M. I. McMahon

 

An analysis of the 'resonance-assisted hydrogen bond' (RAHB) concept and its application to pyrazole clusters

J. Elguero

 

Robotics and e-science; their impact on crystallography

C. Nave

 

Neutron scattering at high pressure

S. Klotz

 

Molecular infection: the invasion complex between internalin of Listeria monocytogenes and human E-cadherin

W.-D. Schubert, T. Wollert, C. Urbanke and D. W. Heinz

 

From crystal structure to molecular recognition principles: mining in crystal data as a prerequisite for drug design

G. Klebe

 

In vitro protein ligation and its application in structural analysis of lipidated proteins

A. Rak, O. Pylypenko, T. Durek, A. Watzke, S. Kushnir, L. Brunsveld, H. Waldmann, S. R. Goody and K. Alexandrov

 

A new protein-expression platform based on a eukaryotic parasite Leishmania tarentolae

R. Breitling, S. Kushnir, N. Callewaert, R. Pietrucha, R. Contreras, S. M. Beverley and K. Alexandrov

 

Generation of phosphorylated proteins for structural studies

T. Johnson

 

Differences in the folding robustness of two variants of green fluorescent protein

J.-D. Pédelacq

 

From gene to protein automatically. A platform technology for systematic, automated and high-throughput protein expression and purification

G. Cameron, R. Mount and K. Auton

 

Refolding, purification and crystallisation of a malaria antigen, AMA1 from Plasmodium falciparum

A. Batchelor, T. Bai and A. Gutpa

 

Automation of macromolecular crystallography data collection at the ESRF

J. McCarthy

 

Automated crystal screening for high-throughput X-ray crystallography at Stanford Synchrotron Radiation Laboratory

A. M. Deacon, A. E. Cohen, P. J. Ellis, S. McPhillips, T. M. McPhillips, M. D. Miller, R. P. Phizackerley, J. Song, S. M. Soltis, I. Tsyba, H. van den Bedem, G. Wolf and Z. Zhang

 

Detection of protein crystals frozen in loop-shape holders

V. S. Lamzin and S. B. Pothineni

 

Searching for polymorphs: a novel automated parallel crystallisation and X-ray powder diffraction system

A. Johnston, A. Florence, N. Shankland and S. L. Price

 

A fully automated diffraction system for the small-molecule laboratory

M. Light, M. Hursthouse and Y. Li

 

Statistical phase improvement without a solvent boundary

K. D. Cowtan

 

Automatic protein models with flexible fragments

F. Pavelcik

 

Direct location of individual sulfur atoms from weak medium-resolution SAD data

J. É. Debreczeni and G. M. Sheldrick

 

CRANK - new methods for automated structure solution

S. Ness, R. A. G. de Graaff, J. P. Abrahams and N. S. Pannu

 

MAIN in 2004: model building at 100 residues per minute

D. Turk

 

Protein function in the crystalline state

A. Mozzarelli, S. Bettati and S. Bruno

 

Adding a fourth dimension to protein structures: intermediates, perturbations and movies.

B. Vallone, D. Bourgeois, A. Arcovito, A. E. Miele, G. Sciara, F. Schotte, M. Wulff, P. Anfinrud and M. Brunori

 

Structural characterization of bacterial cytochrome c peroxidases in different redox states: insights on activation and catalytic mechanisms

A. Echalier, G. W. Pettigrew and V. Fülöp

 

Catalytic cycle of Plasmodium falciparum lactate dehydrogenase

A. Hadfield, C. Limpkin, J. Read, C. Shammas, D. Shoemark, R. Tranter and L. Brady

 

Protein kinetics: relaxations on atomic length scales

M. Schmidt, S. Rajagopal, S. Anderson and K. Moffat

 

Adeno-associated virus replication initiator assembly

F. Dyda, A. B. Hickman and D. R. Ronning

 

Crystal structure of a SUMOylated target

P. Knipscheer, P. van Dijk, A. Pichler, F. Melchior and T. Sixmaa

 

Mutants at the 4th and 5th positions of the sequence d(gcGXYAgc) suggest a variety of the DNA octaplex

W. Adachi, J. Kondo, K. Mitomi, T. Ciengshin, T. Sunami and A. Takénaka

 

Conformational variation of the DNA Holliday junction

N. H. Hopcroft, J. H. Thorpe, A. L. Brogden, B. C. Gale and C. J. Cardin

 

Molecular basis of telethonin-mediated linkage of the N-terminus of titin within the sarcomeric Z-disc

N. Pinotsis, P. Zou, M. Marino, S. Lange, A. Popov, I. Mavridis, M. Gautel, O. M. Mayans and M. Wilmanns

 

Structure of the human outer-mitochondrial membrane monoamine oxidase B at 1.7  Å resolution

A. Mattevi, M. Li, F. Hubalek, D. E. Edmondson and C. Binda

 

Structural studies of Imatinib in complex with its targets in CML and GIST: the molecular basis for selectivity and resistance

S. W. Cowan-Jacob

 

Click chemistry: an original approach for drug discovery

Y. Bourne, H. C. Kolb, Z. Radic, B. Sharpless, P. Taylor and P. Marchot

 

Structure-based drug design of a new class of antibacterial agents

V. Blanc, M. Capet, C. Carrez, A. Genevois-Borelli, J.-P. Guilloteau, J.-P. Martin, M. Mathieu, S. Vincent, S. Wentzler and V. Mikol

 

The temptation of inactivity

R. Pauptit

 

Crystal structure of cyanobacterial photosystem II

T. M. Iverson, K. N. Ferreira, K. Maghlaoui, J. Barber and S. Iwata

 

Crystal structure of oxido squalene cyclase

R. Thoma, B. D'Arcy, F. Müller, E. Kusznir, M. Stihle, O. Morand and A. Ruf

 

Activation of a vinculin binding site (VBS) in the talin rod involves rearrangement of a five-helix bundle

E. Papagrigoriou, A. Gingras, D. R. Critchley and J. Emsley

 

Experimental observation of the pentacovalent intermediate in dUTPase: structural snapshots along the reaction coordinate

O. Barábas, V. Pongrácz, J. Kovári, M. Wilmanns and B. G. Vértessy

 

Crystal structure of catalase-peroxidase from Mycobacterium tuberculosis

K. A. Brown, T. Bertrand, N. A. J. Eady and J. N. Jones

 

Atomic and ultra-high resolution crystallography reveal subtleties in substrate binding

A. Schmidt and V. S. Lamzin

 

Using thrombin to study protein-ligand interactions

D. Banner

 

Understanding protein-ligand interactions for drug design: a structural perspective

M. T. Stubbs, D. Rauh and G. Klebe

 

Structural basis of diverse substrate recognition by PMM/PGM from P. aeruginosa

C. Regni, P. A. Tipton and L. J. Beamer

 

Evolutionary links in the metabolic synthesis and degradation of nucleotides: prove and prejudice

O. Mayans, M. Marino, M. Deuss, D. Svergun and R. Sterner

 

Rational proteomics: substrate specific fingerprints in SCOR enzymes

W. Duax, L. Habegger, R. Huether and V. Pletnev

 

Can topological analysis of intermolecular interactions explain differences in the physico-chemical properties of related chiral compounds?

S. Larsen, H. O. Soresen, A. Ø. Madsen and R. F. Stewart

 

Tuning protons in hydrogen bonds: diffraction + temperature = chemistry?

C. Wilson

 

Intermolecular interactions in molecular materials from the topological analysis of the electron density point of view

M. Souhassou, L. Pretto, P. Gilli, S. Dahaoui, N. Claiser, S. Pillet and C. Lecomte

 

Experimental and theoretical electron density and electrostatic properties as a tool for understanding activity of HIV-1 integrase inhibitor precursors

D. Firley, B. Courcot, A. Spasojevic-de Biré, J. M. Gillet, B. Fraisse, F. Zouhiri, D. Desmaele, J. d'Angelo, P. Becker and N. E. Ghermani

 

An electrochemically controlled molecular shuttle

K. Wozniak, B. Korybut-Daszkiewicz, R. Bilewicz, A. Wieckowska and S. Domagala

 

Charge density studies of some iron nitrosyl complexes

Y. Wang, J. J. Lee and I. J. Hsu

 

Electron densities in prototypic antiferromagnets from gamma-ray diffraction

W. Jauch

 

Invarioms for automated low order data charge density analysis - optimizing conditions

B. Dittrich, M. Messerschmidt, C. B. Hübschle, M. Strumpel and P. Luger

 

Investigation of the cytosine-decavanadate interaction from an experimental charge density: a supramolecular arrangement of Na₃V₁₀O₂₈(C₄N₃OH₅)₃(C₄N₃OH₆)₃·10H₂O in the solid state

N. Bosnjakovic-Pavlovic, N. Bouhmaida, A. Spasojevic-de Biré, I. Correia, I. Tomaz, F. Avecilla, J. Pessoa, U. B. Mioc and N. E. Ghermani

 

Study of electronic interactions in yttrium and gadolinium-semiquinoato complexes

N. Claiser, M. Souhassou, B. Gillon and C. Lecomte

 

The legacy of P.M. de Wolff

A. Janner

 

Superspace description of two-dimensional distributions of defects. Application to the analysis of vacancy ordering

L. Elcoro and J. M. Perez-Mato

 

Superspace approach applied to the Y series of hexagonal ferrites

I. Orlov, A. Arakcheeva and G. Chapuis

 

Modulated charge or orbital ordering in two-dimensional or three-dimensional manganites

O. Pérez, D. Grebille, N. Guiblin, P. Beran, C. Martin, M. Hervieu and R. Retoux

 

Modulations in complex structures - two case studies

S. Lidin, C. Pay-Gomez and M. Boström

 

Direct imaging of phason-related disorders in decagonal Al-Ni-Co by scanning transmission electron microscopy

E. Abe and S. J. Pennycook

 

Growth of metal films on quasicrystals

P. A. Thiel

 

Crystallographic defects in approximants of quasicrystals

V. Demange and J. M. Dubois

 

Interplay of periodicity and aperiodicity for the physical properties of aperiodic crystals

T. Janssen

 

Structural ordering of decagonal Al-Co-Ni

W. Steurer, S. Katrych, K. Hassdenteufel, M. Kobas, T. Weber and G. Krauss

 

Advances and accuracy considerations on crystal structure refinement using highly dynamical electron diffraction data generated with a parallel electron beam

J. Jansen

 

The use of nanodiffraction for the structure analysis of beam-sensitive material

U. Kolb and T. Gorelik

 

Three-dimensional reconstruction of quasicrystal approximant structures by electron crystallography

X. Zou, Z. Mo, S. Hovmöller, X. Li and K. Kuo

 

Charge-density studies on hematite by convergent-beam electron diffraction

R. Theissmann, H. Ehrenberg, H. Fuess, K. Tsuda and M. Terauchi

 

Precession electron diffraction, high-resolution microscopy and atom-probe analysis of nano-size precipitates in Al-Zn-Mg industrial alloys

V. Hansen, A. Kverneland, R. Vincent, X. Z. Li, K. Stiller and J. Gjonnes

 

Structure determination of the precipitates of AlMgSi alloys by electron diffraction and ab initio calculations

S. J. Andersen, C. D. Marioara, R. Vissers, A. G. Frøseth, P. Derlet and H. W. Zandbergen

 

Beyond locating the atoms towards addressing the electronic structure of crystals using advanced transmission electron microscopy

J. Tafto, L. Wu, R. F. Klie and Y. Zhu

 

Quantitative electron diffraction in studies of electron distribution in crystals

Y. Zhu, L. Wu, J. Zheng, J. W. Davenport and J. Tafto

 

TEM investigation of aerinite, compared with synchrotron and X-ray powder diffraction data

D. Nihtianova, U. Kolb, J. Li and I. Queralt

 

Structural investigations of nanocrystalline TiO₂ samples

I. Djerdj, A. M. Tonejc and A. Tonejc

 

Study of crystallographic aspects of the formation of pearlite in carbon steels using transmission electron microscopy

P. Liu

 

Biomineralization and stability of framboidal greigites

A. Preisinger

 

Crystal chemistry of the divalent cation in the alluaudite structure

F. Hatert and M. Rondeux

 

Anti-Loewenstein behaviour in the melilite and sodalite structure types

W. Depmeier and L. Peters

 

On the synthesis, crystal chemistry and magnetic properties of rasvumite and related compounds

H. Boller

 

Phase diagrams of minerals from density-functional perturbation theory

A. R. Oganov, D. Y. Jung, G. D. Price and M. J. Gillan

 

Squeezing magnets: implications for crystallography and geophysics

G. Steinle-Neumann

 

Axial ratio and elastic constants of hcp Fe under Earth's core conditions

C. M. S. Gannarelli, D. Alfè and M. J. Gillan

 

Crystallographic transitions related to magnetic and electronic phenomena under high pressure in iron oxides and compounds

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

 

High-pressure behavior of pyroxenes

T. Boffa Ballaran

 

High-pressure phase transition of Fe₂O₃

S. Ono

 

Neutron diffraction analyses of intact museum objects

W. Kockelmann, A. Kirfel, C. Neelmeijer, H.-M. Walcha, R. Traum, R. Linke and M. Schreiner

 

Direct determination of defect structures in kaolin minerals by high-resolution transmission electron microscopy (HRTEM)

T. Kogure

 

Pushing the limits of laboratory X-ray (micro) diffraction

C. Kirk and G. Cressey

 

Archeometric study of Dutch tin spoons from Amsterdam: 1350-1750  AD. A neutron scattering study

D. Visser, W. Kockelmann, P. Hallebeek, J. Veerkamp and W. Krook

 

Synchrotron X-ray analysis and diffraction mapping in art and archaeology

J. L. Hodeau, M. Anne, I. Bardies, E. Dooryhée, P. Martinetto, S. Rondot, J. Salomon, G. B. M. Vaughan and P. Walter

 

Are the HOH layers of the heterophyllosilicates suitable to prepare pillared materials?

G. Ferraris

 

Mesoporous materials as nucleation-inducing substrates for protein crystallization

N. E. Chayen, E. Saridakis, Y. Nemirovsky and L. Hench

 

Structural study of dye-modified synthetic mordenites

P. Simoncic and T. Armbruster

 

Estimating adsorption energy in AlPO₄-15 molecular sieve - some approaches based on experimental charge-density modelling

F. Porcher, E. Aubert, M. Souhassou and C. Lecomte

 

Crystal structures of double caesium-zirconium and barium-zirconium orthophosphates

E. Gobetchiya, Y. Kabalov, V. Pet'kov and M. Sukhanov

 

The quest for logics for the crystallization of sensitive, heterogeneous and unstable complexes

T. Auerbach and A. Yonath

 

Nucleation in the presence of uncharacterised impurities

R. Sear

 

Overcoming crystallisation obstacles in the pharmaceutical industry

N. Borkakoti

 

Germanium zeotypes

M. A. Monge, E. Gutiérrez Puebla, N. Snejko, M. E. Medina and M. Iglesias

 

Designed ankyrin repeat protein libraries: a valuable new tool for the crystallization of biological macromolecules

M. G. Grütter, A. Kohl, H. K. Binz, P. Amstutz, M. T. Stumpp, C. Briand, G. Capitani, P. Forrer and A. Plückthun

 

Diffraction probes of charge and orbital ordering: from perovskites to geometrically frustrated systems

P. G. Radaelli

 

Resonant X-ray diffraction on manganites

S. Grenier, K. J. Thomas, V. Kiryukhin and J. P. Hill

 

Structural phase transition and charge-ordering effect in -Na_1.286V₂O₅

F. Duc and P. Millet

 

Phonon and defect-induced effects in resonant 'forbidden' reflections

V. E. Dmitrienko, E. N. Ovchinnikova, K. Ishida, J. Kokubun, A. Kirfel, S. P. Collins, D. Laundy, A. P. Oreshko, Y. Joly and D. Cabaret

 

VCD spectroscopic determination of absolute stereochemistry as a complementary technique for investigation of chiral drugs

H. Turner, C. Frampton, A. Russell, M. Claybourn and R. Roberts

 

Precise absolute-structure determination in light-atom crystals

S. Parsons and H. Flack

 

Image plate and CCD detectors for light-atom absolute structure determination: comparison and contrast

J. D. Ferrara, L. M. Daniels, R. Benson, H. Ota, K. Sasaki and M. Chruszcz

 

Conformational chirality of sulfonylpyrimidine derivatives

A. Visnjevac, M. Luic, M. Zinic and B. Zinic

 

A third blind test of crystal structure prediction

J. A. Chisholm

 

The 2004 blind test of crystal structure prediction

G. M. Day and S. Motherwell

 

Searching the CSD for polymorphs

J. van de Streek

 

A new geometrical approach to configurational stability of layered structure types

D. O. Charkin

 

Structure determination from powder diagrams by crystal structure prediction

C. Buchsbaum and M. U. Schmidt

 

Smart HBs in the design of crystals, molecular devices and functional materials

P. Gilli, L. Pretto and G. Gilli

 

Rigid molecular hosts as building blocks for network structures

M. J. Hardie, R. Ahmad and C. Sumby

 

Crystal structures of 1,5,9,18,22,26-hexaaza[11.11]-p-cyclophane adducts: two-dimensional supramolecular networks

T. Borowiak, M. Kubicki and G. Dutkiewicz

 

Are predicted structures high-pressure polymorphs?

I. D. H. Oswald, S. Parsons, D. R. Allan and W. D. S. Motherwell

 

Enclosing chemical space

L. J. Barbour

 

Selectivity by inclusion

L. R. Nassimbeni

 

Symmetry and asymmetry in the associations of molecular crystals

M. Czugler

 

Guest dependant solid-state fluorescence

J. L. Scott and K. Tanaka

 

Interaction in nanoporous supramolecular crystals

B. Toudic, L. Bourgeois, C. Ecolivet, C. Odin, P. Garcia, P. Bourges, G McIntyre and T. Brewcewski

 

Study of the pseudopolymorphism in the host-guest systems

Yu. Chumakov, E. Weber, B. Ibragimov, S. Talipov, M. Perrin, Yu. Simonov and B. Tashkhodjaev

 

Unexpected solid-state fluorescence of an organic pigment

M. U. Schmidt, J. E. Djanhan, T. Metz and M. Bolte

 

X-ray analysis of various reaction pathways through nitrenes

Y. Ohashi, T. Mitsumori and H. Uekusa

 

A re-examination of the bond valence model

F. Liebau and X. Wang

 

Computation of kinetic and thermodynamic characteristics for close-packed crystalline solutions from diffuse scattering and phase diagram data

T. Radchenko, H. Zapolsky, D. Blavette and V. Tatarenko

 

High-pressure recrystallisation - a route to new polymorphs and solvates of small molecules

F. P. A. Fabbiani, D. R. Allan, S. Parsons and C. R. Pulham

 

Chlorothalonil: unexpected and unpredictable polymorphic structures

M. Tremayne, B. M. Kariuki, H. H. Y. Tsui, S. L. Price and J. C. Cherryman

 

MgIr, a new intermetallic compound with 25-atoms crystal structure solved from powder diffraction

R. Cerny, G. Renaudin and V. Favre-Nicolin

 

New possibilities in stress and strain analysis with synchrotron radiation and neutrons

A. R. Pyzalla

 

Anisotropic microstrain-like diffraction-line broadening due to composition variations and other origins

A. Leineweber and E. J. Mittemeijer

 

Joint-probability methods for indexing impure and multi-component powder diffraction patterns

R. Shirley

 

An analytical approach to the indexing of multiphase powders

V. B. Zlokazov

 

Determination of composition and strain field of nanostructured semiconductor materials

W. Neumann, H. Kirmse, I. Häusler, R. Otto and I. Hähnert

 

Dipeptide nanotubes: towards a functionalized channel interior

C. H. Görbitz

 

Whole profile fitting to electron diffraction patterns from nanocrystalline powders

J. L. Lábár

 

Morphological changes in isotactic polypropylene evaluated by SAXS analysis: a comparison between polymer samples obtained by different Ziegler-Natta catalysts

E. Ferracini, R. Goergl and A. Mazzavillani

 

Structural and spectroscopic properties in the (CH₃NH₃)₂Mn_1-xM_xCl₄ (0    x    1) system with M = Co or Cu

P. Durand and S. Techert

 

Avoiding and detecting errors in X-ray crystal structures of small molecules

M. Lutz and A. L. Spek

 

SYSTER and ISOQUEST: How good and unique are your data and structure?

R. de Gelder and J. M. M. Smits

 

Recent advances in structure validation

A. J. Blake

 

Coordinate uncertainties in protein structure comparison

T. R. Schneider

 

Data validation 10 years on: the use of interactive ontologies

S. R. Hall and N. Spadaccini

 

Automatic structure determination. Is it just a dream?

D. J. Watkin and R. I. Cooper

 

ELVES and the acceleration of crystallography

J. Holton and T. Alber

 

Fully automated small molecule structure determination: a crystallographic dark laboratory

M. Hursthouse, M. Light and Y. Li

 

SIR2002, its heir SIR2004 and IL MILIONE

G. Polidori, M. C. Burla, B. Carrozzini, G. L. Cascarano, C. Giacovazzo and D. Siliqi

 

The SYSTEM-S approach to automated structure determination: problems and solutions

A. L. Spek

 

GUI design of the graphical tools in COOT

P. Emsley

 

Design and development of the Mercury visualiser

C. Macrae

 

Maintaining the history of an X-ray laboratory

P. S. White

 

CCP4 molecular graphics project

E. Potterton and S. McNicholas

 

A user interface toolkit for small molecule X-ray structure determination and analysis

R. I. Cooper

 

Self-assembly of aluminium nano-crystals on the decagonal surface of Al-Co-Ni quasicrystal - a low-energy electron diffraction study

Y. Weisskopf, M. Erbudak, T. Flückiger, A. R. Kortan, R. Lüscher and M. Mungana

 

Particle sizing of tetrahedral and hemispherical particles from small-angle scattering experiments

W. Gille

 

Analysis of strain state of semiconductor structures by large-angle convergent electron beam diffraction

H. Kirmse, I. Hähnert and W. Neumann

 

High pressure diffraction studies of nanocrystalline materials

B. Palosz, V. Stel'makh, E. Grzanka, S. Gierlotka and W. Palosz

 

Pressure-temperature neutron diffraction studies of PbZr_0.52Ti_0.48O₃ (PZT) system: polarisation rotation mechanism involving low symmetry phases

J. Rouquette, J. Haines, V. Bornand, M. Pintard, P. Papet, W. G. Marshall and S. Hull

 

High pressure X-ray absorption spectroscopy: state of the art and future developments

J. Itié, F. Baudelet, C. Campos, A. Congeduti, B. Couzinet, M. D'Astuto, P. Munsch and A. Polian

 

Novel chain structures in group VI elements

O. Degtyareva, E. Gregoryanz, H.-K. Mao and R. J. Hemley

 

Crystallography at extreme conditions: state of the art

N. Dubrovinskaia and L. Dubrovinsky

 

From crystalline to amorphous: total scattering used as universal local structural probe

Th. Proffen

 

Using evolutionary algorithms for the investigation of disordered materials

T. Weber

 

Characterising the structural disorder associated with superionic conduction in crystalline materials

D. A. Keen and S. Hull

 

Characterization of radiation-damaged materials by means of small-angle X-ray scattering

S. Rios

 

Stacking disorder in the hexagonal form of tris(bicyclo[2.1.1]hexeno)benzene

M. Hostettler, H.-B. Bürgi, H. Birkedal and D. Schwarzenbach

 

Interplay between spin conversion and structural phase transformation: unusual spin crossover in an iron(II) complex

K. W. Törnroos, B. Vangdal, D. Chernyshov, M. Hostettler and H.-B. Bürgi

 

Design and X-ray structures of new chiral ferrocenyl ligands to be used in asymmetric catalysis

J.-C. Daran, L. Routaboul, F. Rivals, S. Vincendeau and E. Manoury

 

Single-crystal-to-single-crystal photochemistry in inclusion compounds

T. Lavy, Y. Sheynin, M. Kapon and M. Kaftory

 

Unravelling the chemical property of the colouration bathochromic shift in the lobster carapace: a new crystal structure of unbound astaxanthin

J. Coppin, J. R. Helliwell and M. Helliwell

 

From dihydroxyacetone (DHA) to dihydroxyacetone phosphate (DHAP) - solving the problem by the use of X-ray crystallography

K. Slepokura and T. Lis

 

Ring-stacking and ring-laddering in the organic solid state

A. D. Bond

 

CSDContact: a database of hydrogen-bond contacts for chemical groups

S. Motherwell and L. Infantes

 

MOGUL: rapid retrieval of molecular geometry information from a crystallographic database

S. Robertson

 

Comparing structures with Z' = 2 using CRYSTALS

A. Collins and R. I. Cooper

 

The influence of ortho substituents on the twisting angle of a carboxyl group with respect to aromatic six-membered carbon rings

D. J. A. De Ridder, J. Bos and H. Schenk

 

Nanoscratching, a new technique for applied crystallography

G. Kaupp and M. R. Naimi-Jamal

 

Physical chemistry of lanthanide coordination polymers

S. A. Bourne and L. J. Moitsheki

 

Thermogravimetric and IR spectroscopic hints of structure validated by X-ray crystallography

J. Madarász, P. Bombicz and Gy. Pokol

 

Buy one, get one free - redefining the role of service crystallography in a pharmaceutical environment

T. Wagner and L. Oberer

 

Single-crystal X-ray diffraction studies of light-activated molecular species

J. M. Cole

 

In situ pressure crystallization: an alternative to crystallization by cooling

A. Katrusiak, A. Budzianowski and K. Dziubek

 

Continuous symmetry and continuous chirality analyses: coordination compounds, proteins, quartz and more

D. Avnir

 

New molecular materials using TTF's and Pc's as building blocks

S. Decurtins and S.-X. Liu

 

Vapochromic behaviour of the solid Ni(BME-DACH) in the presence of SO₂: structural characterization by single-crystal and powder diffraction

J. Reibenspies, N. Bhuvanesh, M. Darensbourg, M. Golden, P. Lee and Y. Zhang

 

Towards the synthesis of supramolecular polygons and polyhedra containing the ruthenium-⁶-arene unit

S. H. Dale and M. R. J. Elsegood

 

Cluster-based catalysts for asymmetric synthesis

V. Moberg and E. Nordlander

 

Neutron diffraction studies on optically-active deuterated molecules

R. Bau

 

Neutron diffraction and magnetic structures

F. Bouree

 

Crystal and magnetic order in nanosized transition-metal oxides

K. Krezhov, E. Sváb, Gy. Mészáros, F. Bourée, Z. Somogyvári, P. Konstantinov and I. Nedkov

 

Advanced analysis of neutron total scattering data: modelling disorder in network structures

D. A. Keen, M. T. Dove and M. G. Tucker

 

Neutron protein structures at 12  K

M. Blakeley

 

Teaching crystallography in a changing world

H. Schenk

 

Teaching about chirality in crystals and molecules

H. D. Flack

 

Crystallography in kindergarten

B. Kahr

 

Teaching crystallography - an example of a course

I. Turowska-Tyrk

 

Teaching crystallography on the internet

C. E. Naylor, D. S. Moss and C. Sansom

 

Structural manipulation of hydrogen-bonded networks - inclusion of metal centres and chromophores and response to loss of symmetry

A. D. Burrows, N. J. Burke, R. W. Harrington, M. F. Mahon and S. J. Teat

 

Crystal engineering based on mirror image recognition

B. Calmuschi and U. Englert

 

Effect of hydrophilic-hydrophobic ratio in organic molecules on the crystal packing

A. Gubaidullin

 

Intermolecular interactions in Au^I and Au^III complexes

C. Esterhuysen, S. Cronje, H. G. Raubenheimer and G. J. Kruger

 

Stressing a hydrogen-bonded grid: changes in symmetry and topology

L Fábián, A Kálmán, Gy. Argay, G. Bernáth and Zs. Cs. Gyarmati

 

Structural studies on the urokinase plasminogen activator receptor (uPAR), a key mediator of cancer invasiveness

L. Iuzzolino, A. Andolfo, N. Sidenius, F. Blasi and M. Degano

 

Automated sample screening and data collection using BRUNO

M. Benning, J. Kaercher, R. Lancaster, S. Leo and F. Jin

 

Crystal structure eprints: publication @ source through the open archive initiative

S. Coles, J. Frey, M. Hursthouse, L. Carr and C. Gutteridge

 

Winners and losers - ranking crystals from diffraction images

A. R. Criswell, R. Bolotovsky, T. Niemeyer, R. Athay and J. W. Pflugrath

 

HEiDi, new single-crystal diffractometer at the hot source of FRM-II

M. Meven and G. Heger

 

Strategy of data collection based on statistic modelling

A. Popov and G. Bourenkov

 

Application of a dual-source Weissenberg type diffractometer

H. Borrmann, H. Zhang, Yu. Prots, M. Schmidt and W. Schnelle

 

On pentacovalent phosphorus intermediates of enzymatic phosphoryl transfer reactions

I. Berente and G. Náray-Szabó

 

New structures solved using ab initio direct methods

G. Bunkóczi, J. É. Debreczeni and G. M. Sheldrick

 

A direct approach towards high-resolution structure determination without Fourier inversion

K. F. Fischer, A. Kirfel and H. W. Zimmermann

 

Charge density studies of biological macromolecules : beyond the spherical atom model

B. Guillot, C. Jelsch, A. Lagoutte, C. Gopi Mohan, V. Pichon-Pesme, E. Chabriere and C. Lecomte

 

Hierarchical description of protein structure fragments obtained from analyses of promolecular electron density distributions

L. Leherte

 

A global/local optimisation technique with application to structural analysis of macromolecules

F. Long and G. N. Murshudov

 

Ab initio structure solution by charge flipping

G. Oszlanyi and A. Suto

 

Evaluation of different treatments of the normal matrix

S. D. Pantos, R. I. Cooper and D. J. Watkin

 

SAD / MAD techniques in IL MILIONE

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

 

Towards crystal structure of XEndoU, a novel endoribonuclease from X. laevis

F. Renzi, P. Laneve, U. Gioia, L. Leone, F. Altieri, M. Arceci, I. Bozzoni, M. Brunori, D. Tsernoglou, E. Caffarelli and B. Vallone

 

Happy experiences with SAD phasing using Cu radiation

B. Schierbeek, A. Coetzee, C. Bauer and M. Bennig

 

Direct incorporation of experimental phase information in model refinement

P. Skubák, G. N. Murshudov and N. S. Pannu

 

Obtaining high-quality experimental phases: results from MAD experiments on urate oxidase derivative crystals with Gd complexes

M. Stelter, J. Vicat and R. Kahn

 

Direct measurement of structure-factor phases on several protein structures

A. A. Stewart and Q. Shen

 

Away from the edge: SAD phasing from the sulfur anomalous signal measured in-house with chromium radiation

R. Tyrrell, J. D. Ferrara, C. Yang, J. W. Pflugrath, H. Kawasaki, H. Yamazaki and A. Yamano

 

Crystal structures of the S64C mutant monomer and dimer from Desulfovibrio vulgaris in the semiquinone state

G. Bombieri, R. Artali, D. Cavazzini, G. Gilardi, N. Marchini and G. L. Rossi

 

Kinetic crystallography on cholinesterases

J. P. Colletier, A. Royant, A. Specht, F. Nachon, G. Zaccai, M. Goeldner, J. L. Sussman, I. Silman, D. Bourgeois and M. Weik

 

Ultra-high resolution structure of a -alanyl-CoA ammonia lyase (ACL)

A. Heine, T. Selmer, G. Klebe and K. Reuter

 

Crystal structure of a reaction intermediate of pyruvate oxidase from Aerococcus viridans

E. C. M. Juan, T. Hossain, K. Suzuki, M. Tsunoda, S. Imamura, T. Yamamoto, T. Sekiguchi and A. Takénaka

 

Neutron protein crystallography is greatly enhanced using perdeuterated proteins

F. Meilleur, D. A. A. Myles and M. Hartlein

 

Functional relaxation determined by protein kinetics

M. Schmidt, A. Krasselt, F. Parak, K. Nienhaus, U. Nienhaus, V. Srajer and R. Pahl

 

Symmetry at the active site of the ribosome: structure and function

I. Agmon

 

Crystal structure of the RNA binding domain of NS2 from BTV

C. Butan and P. Tucker

 

Cellulosome assembly and the crystal structure of the cohesin-dockerin complex

A. L. Carvalho, F. M. V. Dias, J. A. M. Prates, T. Nagy, H. J. Gilbert, G. J. Davies, C. M. G. A. Fontes and M. J. Romao

 

Oligomerization events mediated by coiled coils as kinase regulatory mechanism

P. García, M. Marino and O. Mayans

 

Applied homology modelling in the study of cell-to-cell movement of cucumoviruses

Á. Gellért, K. Salánki, E. Huppert, G. Náray-Szabó and E. Balázs

 

Structure of PACE12, an archaebacterial protein with GTPase activity and of unknown biological function

S. Gras, P. Carpentier, B. Fernandez, J. Armengaud, P. Forterre and D. Housset

 

The structure of Trichoderma reesei hydrophobin HFBII

J. Hakanpaa, M. Linder and J. Rouvinen

 

The structure of 2 EF-hand calcium binding allergen Che a 3

W. Keller, P. Verdino, R. Barderas, R. Rodriguez, K. Westritschnig and R. Valenta

 

Roles of the base-stacked XYYX in forming multiple associations of the base-intercalated duplexes

J. Kondo, W. Adachi, S. Umeda, K. Fujita, T. Sunami and A. Takénaka

 

Towards time-resolved studies with phycoerythrocyanin (PEC) crystals from Mastigocladus laminosus

A. Krasselt, M. Schmidt and W. Reuter

 

Low-resolution model of histidine kinase protein Rv0902c from Mycobacterium tuberculosis

E. Nowak, D. I. Svergun and P. A. Tucker

 

Co-axial association of eye lens aquaporin AQP0

D. Palanivelu, P. Agre, D. Kozono, A. Lustig, K. Suda and T. Schirmer

 

Modelling crystal contacts by site-directed mutagenesis

K. Schirwitz, A. Schmidt and V. Lamzin

 

Crystallization of photosystem II core complex from Pisum sativum

I. Kuta Smatanova, F. Vacha, J. A. Gavira and J. M. Garcia-Ruiz

 

Characterization of archaeal Sm proteins from Sulfolobus solfataricus: structural and functional analysis

D. Suck and T. Kilic

 

Crystal structure of the Zn/Co-containing adenylate kinase from D. gigas

J. Trincao, S. Bursakov, J. J. G. Moura, I. Moura and M. J. Romao

 

The X-ray diffraction structure of a glycosyl hydrolase family 32 protein: 1-fructan exohydrolase IIa of Cichorium intybus

M. Verhaest, W. Van den Ende, C. De Ranter, A. Van Laere and A. Rabijns

 

Structural organization in siliceous spicules from marine sponges

G. Croce, D. Viterbo, M. Milanesio and H. Amenitsch

 

Structural studies of WD repeat proteins

D. K. Wilson, D. Cerna, A. Y. Madrona and W. Voegtli

 

Structure and function of the fatty acid binding protein (Sm14) from Schistosoma mansoni, a vaccine candidate

F. Angelucci, A. Bellelli, K. A. Johnson, P. Baiocco, A. E. Miele, L. Gourlay, C. Valle, P. Liberti, D. Cioli, D. Tsernoglou and M. Brunori

 

Structural genomics of Schistosomes: stathmin-like protein and cyclophilin

P. Baiocco, A. Miele, F. Angelucci, L. Gourlay, A. Basso, C. Valle, P. Liberti, D. Cioli, A. Bellelli and M. Brunori

 

The LytM structure: Implications for lysostaphin and for the definition of a new group of metallopeptidases

S. G. Odintsov, I. Sabala, M. Marcyjaniak and M. Bochtler

 

Towards the crystal structure of the isoquinoline oxidoreductase from Brevundimonas diminuta

D. R. Boer, A. Müller, D. J. Lowe, S. Fetzner and M. J. Romao

 

DNA-targeted drugs - untwisting the tangled web of interactions

S. C. M. Teixeira, J. H. Thorpe, B. C. Gale, Y. Gan, A. M. Brogden and C. J. Cardin

 

Crystal structure of human transthyretin in complex with iodo-diflunisal, a potent amyloid inhibitor

L. Gales, S. Macedo-Ribeiro, G. Arsequell, G. Valencia, M. J. Saraiva and A. M. Damas

 

Crystal structure of the quorum sensing protein TraM and its interaction with the transcriptional regulator TraR

A. Vannini, C. Volpari and S. Di Marco

 

Crystallographic studies on the reaction cycle of isopenicillin N synthase

W. Ge, R. Adlington, P. Rutledge and J. Baldwin

 

How to pick the best low-hanging fruit in medically important target genomes

J. R. Helliwell, M. Cianci, J. Raftery and I. Rosmarin

 

Binding of KAR-2 to a new binding domain of calmodulin and beyond: structure and function

I. Horváth, V. Harmat, V. Pálfi, A. Perczel, L. Nyitray, G. Náray-Szabó and J. Ovádi

 

Structural and biochemical studies of human PCNA complexes provide the basis for association with CDK/cyclin and a rationale for inhibitor design

G. Kontopidis, S.-Y. Wu, D. Zheleva, P. Taylor, C. McInnes, D. Lane, P. Fischer and M. Walkinshaw

 

Crystal structures of human cytochrome P450 2C9 and 3A4 with bound ligands

D. Matak-Vinkovic, P. A. Williams, J. Cosme, A. Ward, P. Day, I. J. Tickle and H. Jhoti

 

Crystal structure of Y10F mutant of Sh28GST: insight into GSH activation mechanism and isomerisation of prostaglandin H2 to prostaglandin D2

A. E. Miele, F. Angelucci, P. Baiocco, L. Gourlay, F. Trottein, A. Bellelli and M. Brunori

 

Identifying antagonists towards a G-protein coupled receptor using the structure of a hormone complexed to a neutralizing monoclonal antibody

G. Polekhina, W. J. McKinstry, H. Diefenbach-Jagger, P. W. M. Ho, C. J. Morton, K. Sato, E. Onuma, M. T. Gillespie, T. J. Martin and M. W. Parker

 

The mode of binding of isoniazid, an anti-tubercular drug, to arylamine n-acetyltransferase from Mycobacterium smegmatis

J. Sandy, S. Holton, M. E. M. Noble and E. Sim

 

Structural systematics for the antimycobacterial carboxamidrazones

C. H. Schwalbe, K. A. McMillan and D. L. Rathbone

 

Crystal structure analysis and ITC measurements to correlate structural and thermodynamic properties in a congeneric series of trypsin and thrombin inhibitors

J. Simunec, A. Heine and G. Klebe

 

Structural studies on collagen-binding integrin I domains

L. Viitanen, A.-M. Brandt, H. Kidron, Y. Nymalm-Rejström, T. Airenne and T. Salminen

 

X-ray crystallographic analysis of nicotinic acid mononucleotide adenylyltransferase from Pseudomonas aeruginosa

H.-J. Yoon, H.-L. Kim and S. W. Suh

 

Crystal structure of an intact group I self-splicing intron in complex with both introns

P. L. Adams, M. R. Stahley, A. B. Kosek, J. Wang and S. A. Strobel

 

Crystal structure of photosystem II at 3.2  Å provides new details of protein-cofactor interactions

J. Biesiadka, B. Loll, J. Kern, K.-D. Irrgang, A. Zouni and W. Saenger

 

Yeast copper thionein: solving a small but long-standing puzzle

V. Calderone, B. Dolderer, H.-J. Hartmann, H. Echner, C. Luchinat, C. Del Bianco, S. Mangani and U. Weser

 

Human phosphate binding protein

C. Contreras-Martel, R. Morales, M. Nicodeme, F. Renaud, M.-L. Chesne, P. Carpentier, J.-C. Fontecilla-Camps, D. Rochu, P. Masson and E. Chabriere

 

Crystal structure of the pyoverdin outer membrane receptor FpvA from Pseudomonas aeruginosa

D. Cobessi, H. Célia, N. Folschweiler, I. Schalk, M. Abdallah and F. Pattus

 

Crystal structure of mouse CD1d with a phospholipid self ligand: insights in the molecular basis of regulatory NKT cell activation

M. Degano, B. Giabbai, S. Sidobre, Y. Sanchez-Ruiz, A. Bachi and M. Kronenberg

 

Crystal structures of conserved hypothetical protein YLBA from three different bacteria

A. A. Fedorov, E. V. Fedorov and S. C. Almo

 

PEG200 improved crystallisation of a mycobacterial adenylyl cyclase regulatory domain

F. Findeisen, I. Sinning, J. Schultz, J. Linder and I. Tews

 

The high-resolution crystal structure of eukaryotic assimilatory nitrate reductase Mo domain

K. Fischer, G. Barbier, H.-J. Hecht, R. R. Mendel, W. H. Campbell and G. Schwarz

 

Structural and functional characterization of bacterial YeiK nucleoside hydrolase from E. coli: catalytic mechanism and possible role in cancer gene therapy

B. Giabbai, M. S. Boles and M. Degano

 

Structural studies of the talin VBS3 with vinculin head

A. R. Gingras, E. Papagrigoriou, I. Barsukov, D. R. Critchley and J. Emsley

 

Mitochondrial KAS

A. Henriksen and P. von Wettstein-Knowles

 

Structure of photosystem II and architecture of the oxygen evolving centre

S. Iwata

 

Light-driven conformational changes in a bacterial photosynthetic reaction centre

G. P. Katona, U. Andréasson, P. Gourdon, M. E. Landau, A. Snijder, Ö. Hansson, L.-E. Andréasson and R. Neutze

 

Structural study of a tumor-associated human DEAD-box RNA helicase, rck/p54

T. Matsui, K. Hogetsu, Y. Akao, T. Sato, T. Kumasaka and N. Tanaka

 

Crystal and solution structure of the putative antiterminator protein Rv1626 from Mycobacterium tuberculosis

J. P. Morth, V. Feng, L. J. Perry, D. I. Svergun and P. A. Tucker

 

Structure of YbeK pyrimidine hydrolase from E. coli: understanding a possible new helper in cancer gene therapy

L. Muzzolini, W. Versees, I. Steyaert and M. Degano

 

Structure of the Bacillus brevis acetolactate decarboxylase: a bifunctional enzyme with a novel fold

S. Najmudin, D. H. G. Crout and V. Fülöp

 

Crystal structure of a -butyrolactone autoregulator receptor protein in Streptomyces coelicolor A3(2)

R. Natsume, S. Horinouchi and T. Senda

 

Crystallisation and preliminary X-ray analysis of glycolipid transfer protein

Y. Nymalm, G. West, H. Kidron, T. Airenne, P. Mattjus and T. Salminen

 

Towards the structure of S-layer protein SbsC

T. Pavkov, E. M. Egelseer, M. Sára and W. Keller

 

X-ray structures of glutathione S-transferases from Sporozoa and Helminth organism will form the basis for a structure-based drug design

M. Perbandt, C. Burmeister, J. Höppner, R. D. Walter, C. Betzel and E. Liebau

 

Neutron diffraction structure of fully deuterated aldose reductase: a necessary complement to X-ray ultra-high-resolution structures

A. Podjarny, A. Mitschler, I. Hazemann, T. Petrova, F. Ruiz, M. Blakeley, M. T. Dauvergne, F. Meilleur, M. Van Zandt, S. Ginell, A. Joachimiak and D. Myles

 

Crystal structure of BclA, a protein of the exosporium of the spore of Bacillus anthracis

S. Réty, S. Salamitou and A. Lewit-Bentley

 

Structural basis for the mechanism of Ca²⁺ activation of the di-heme cytochrome c peroxidase from Pseudomonas nautica 617

M. J. Romao, J. M. Dias, J. Trincao, T. Alves, C. Timóteo, C. Bonifácio, A. Pereira, D. Bourgeois and I. Moura

 

Structure determination of MntC, the solute-binding component of a high-affinity manganese ABC transport system in the Synechocystis sp. PCC 6803

V. Rukhman, M. Bhattacharyya-Pakrasi, H. B. Pakrasi and N. Adir

 

Twist and curvature formation of the hook: a two-domain movement

F. A. Samatey, H. Matsunami, K. Imada, S. Nagashima, T. R. Shaikh, D. Thomas, D. J. DeRosier and K. Namba

 

Structure of a sixteen-heme cytochrome by X-ray crystallography

T. Santos Silva, J. M. Dias, G. Bourenkov, H. Bartunik, I. Moura and M. J. Romao

 

Structural genomics of DNA damage response in Escherichia coli

A. Teplyakov, G. Obmolova, P. Khil, J. E. Ladner, R. D. Camerini-Otero and G. L. Gilliland

 

Structure-function studies on an S-adenosyl-L-methionine dependent uroporphyrinogen-III C-methyltransferase (SUMT), a key regulatory enzyme of tetrapyrrole biosynthesis

J. Vévodová, R. M. Graham, E. Raux, H. L. Schubert, D. I. Roper, A. A. Brindley, A. I. Scott, C. A. Roessner, N. P. J. Stamford, M. E. Stroupe, E. D. Getzoff, M. J. Warren and K. S. Wilson

 

Crystallization of the novel flavodoxin-like protein, WrbA - on the way to three-dimensional structure

J. Wolfova, I. Kuta Smatanova, R. Grandori, N. Chatterjee and J. Carey

 

Structure of superoxide reductase bound to ferrocyanide and active site expansion upon X-ray induced photo-reduction

V. Adam, A. Royant, V. Niviere, F. P. Molina Heredia and D. Bourgeois

 

Structural studies on metalloregulatory protein MerR

A.-M. Brandt, H. Kidron, M. Karp and T. Salminen

 

The role of glutamate 90 in drug binding by QacR, a multidrug-resistance regulator in Staphylococcus aureus

B. E. Brooks, K. M. Hardie, R. A. Skurray and R. G. Brennan

 

Crystal structure of the Type III secretion chaperone SycT from Yersinia enterocolitica

C. Buettner, H. Niemann and D. Heinz

 

Substrate and dioxygen binding to an endospore coat laccase from Bacillus subtilis

F. J. Enguita, D. Marçal, L. O. Martins, R. Grenha, I. Bento, G. Gato, P. F. Lindley and M. A. Carrondo

 

Structural analysis of acetylcholine-binding protein from the snail Bulinus truncatus

P. Celie, R. Klaassen, S. van Rossum-Fikkert, R. van Elk, G. Smit and T. K. Sixma

 

Structure of the response regulator PleD with a novel di-guanylate cyclase domain

C. Chan, N. Amiot, U. Jenal and T. Schirmer

 

A six- or sevenfold coordinated divalent cation in the active site of human PSP makes the difference

C. De Ranter, Y. Peeraer, A. Rabijnsa, J.-F. Collet and E. Van Schaftingen

 

Structural studies of FXa-trypsin mutants complexed by dianhydrosugar-based benzamidine inhibitors

A. Di Fenza, A. Heine, M. Vogler, M. T. Stubbs, D. Rauh, A. Tziridis, U. Koert and G. Klebe

 

Structure of the integrin a2b1 binding collagen peptide

J. Emsley, G. Knight and R. Farndale

 

Structure and signaling in the epidermal growth factor receptor family

T. P. J. Garrett, M.-Z. Lou, N. M. McKern, T. E. Adams, G. O. Lovrecz, E. C. Nice, A. W. Burgess and C. W. Ward

 

Ion channels in crystals of gramicidin D complex with RbCl. Atomic resolution low-temperature synchrotron X-ray data

M. L. Glówka, A. Olczak, J. Bojarska, M. Szczesio, W. L. Duax, B. M. Burkhart, W. A. Pangborn, D. A. Langs, N. Li and Z. Wawrzak

 

Crystal structures of CTP synthase reveal ATP, UTP, and glutamine binding sites

M. Goto, R. Omi, I. Miyahara and K. Hirotsu

 

Structures of the zymogen and active forms of the catalytic fragment of MASP-2

V. Harmat, P. Gál, T. Bián, G. Ambrus, G. Náray-Szabó and P. Závodszky

 

Carbohydrate recognition by -amylase isozymes: their crystal structures reveal new binding sites and remarkable functional differences

R. Haser, S. Tranier, X. Robert, B. Svensson and N. Aghajari

 

Three-dimensional domain-swapped dimers of human cystatin C and their interactions - implications for amyloidogenesis

M. Jaskolski and R. Janowski

 

On the construction of a model signaling system with structural information: structural studies of Bacillus subtilis stress response regulators

T. Kaneko, H. Koyama, N. Tanaka and T. Kumasaka

 

Structural studies on human vascular adhesion protein-1

H. Kidron, Y. Nymalm, A. Söderholm, L. Viitanen, K. Kaukonen, M. Pihlavisto, T. T. Airenne, M. S. Johnson and T. A. Salminen

 

Indirubin and indigo analogues inhibit glycogen phosphorylase b by binding at the inhibitor or/and allosteric site

M. N. Kosmopoulou, D. D. Leonidas, E. D. Chrysina, G. Eisenbrand, C. E. Sakarellos and N. G. Oikonomakos

 

Crystal structure of two isolectins from the fungus Coprinus cinereus: a model for studying evolutionary pathways

M. F. López-Lucendo, H.-J. Gabius and A. Romero

 

Cubic lipid phase crystallization of membrane proteins

H. Luecke

 

Binary complex of calf spleen purine nucleoside phosphorylase with a potent multisubstrate analogue inhibitor

M. Luic, G. Koellner, T. Yokomatsu, S. Shibuya and A. Bzowska

 

Crystal structure of plant threonine synthase complexed with S-adenosylmethionine reveals allosteric activation mechanism

C. Mas, V. Biou and R. Dumas

 

Structural diversity of plant glutathione S-transferases

A. G. McEwen, D. J. Cole and A. J. Lapthorn

 

Distorted sugar ring in the active site of soybean -amylase

B. Mikami, Y.-N. Kang, A. Hirata and S. Utsumi

 

X-ray structures of aldose reductase-inhibitor complexes at 0.9  Å resolution from LN2-cryocooled crystals measured at 10  K

A. Mitschler, S. Ginell, T. Petrova, I. Hazemann, A. Cousido, F. Ruiza, M. Van Zandt, A. Joachimiak and A. Podjarny

 

Structure of the PB1 domain of NBR1 and complex formation with the PB1 domain of p62

S. Müller, I. Kursula and M. Wilmanns

 

Crystal structure of histidinol phosphate phosphatase: coordination of three metal ions

R. Omi, M. Goto, I. Miyahara and K. Hirotsu

 

Structure-function studies on prolyl oligopeptidase

D. Rea, Z. Szeltner, L. Polgár and V. Fülöp

 

The zinc finger motif of E. coli RecQ helicase is required for DNA binding and whole protein integrity

J. L. Liu, P. Rigolet and X. G. Xi

 

Crystal structure of major cat allergen Fel d 1

T. Sandalova, L. Kaiser, H. Grönlund, H.-G. Ljunggren, M. van Hage-Hamsten, A. Achour and G. Schneider

 

Crystal structure of glutamate-1-semialdehyde-aminomutase from Thermosynechococcus elongatus

J. Schulze, W.-D. Schubert, J. Moser, D. Jahn and D. Heinz

 

Receptor recognition by the flexible peroxisomal targeting signal type 1 of sterol carrier protein 2

W. A. Stanley, F. V. Filipp, P. Kursula, D. I. Svergun, M. Sattler and M. Wilmanns

 

Determination of the structure of serine-type protease acylaminoacyl peptidase (AAP)

H. Wright, Z. Szeltner, A. Kiss, L. Polgar and V. Fulop

 

Polymorphism and photochromism of salicylideneaniline

F. Arod, M. Gardon, P. Pattison and G. Chapuis

 

Topological information of the electron-density distribution in hydrogen-bonded systems

E. Espinosa, I. Alkorta, J. Elguero and E. Molins

 

The nature of hypervalent bonding in compounds of pentacoordinated silicon as found from X-ray diffraction and quantum chemical calculations

A. A. Korlyukov, K. A. Lyssenko and M. Yu. Antipin

 

Electronic structure of [Cu(dimethylimidodicarbon-imidate)₂] complex

J. Kozísek, I. Svoboda and H. Fuess

 

Charge separation on pigments of photosystem II reaction centers

M. Kutý, J. Psencík and F. Vácha

 

Direct observation of charge ordering in (EDO-TTF)₂PF₆

S. Aoyagi, K. Kato, A. Ota, H. Yamochi, G. Saito, H. Suematsu, M. Sakata and M. Takata

 

Intra- and inter-molecular charge transfer in metal-insulator switching compound (EDO-TTF)₂PF₆

N. Claiser, B. Arnaud, G. Roger, L. Toupet, T. Roisnel, A. Ota, H. Yamochi, G. Saito and P. Rabiller

 

Charge-density study of 'blue protein model compounds'

M. Fronc, J. Kozisek, H. Fuess and C. Paulmann

 

Site-dependent atomic response on an external high electric field in GaPO₄: new insights into understanding the inverse piezoelectric effect

S. V. Gorfman, V. G. Tsirelson and U. Pietsch

 

Fourier difference analysis of HoNi₂B₂C single crystals

T. Leisegang, D. C. Meyer, D. Souptel, G. Behr and P. Paufler

 

Charge density of dimeric bis(N,N-diethyldithiocarbamato)zinc by combination of 100  K neutron with 20  K X-ray diffraction

M. Messerschmidt, P. Luger, E. R. T. Tiekink and W. Klooster

 

Crystallographic aspect of the phase transitions in Na₂CO₃

A. Arakcheeva and G. Chapuis

 

Crystal growth, structures and superconducting properties of cuprates in the Bi(Pb)-Sr-Ca-Cu-O system

R. Gladyshevskii, E. Giannini and R. Flükiger

 

The dependence of the structure amplitude on the amplitudes of the terms of a finite harmonic expansion of the modulation function

T. Sliwinska, P. Gusin and J. Warczewski

 

Average Patterson analysis of disordered structures

D. Orzechowski and J. Wolny

 

Structure of the incommensurate phase of ammonium tetrafluoroberyllate and the mechanism of the phase transition

L. Palatinus and S. van Smaalen

 

Mechanism of incommensurate modulation in 4, 4'-dichlorobiphenyl sulfone

Y. Pan, D. Brown, F. J. Zuniga and G. Chapuis

 

Re-investigation of the incommensurate structure of HMT-resorcinol in superspace

R. M. Soraya and G. Chapuis

 

Structural investigation of composite phases Ba_1+x[(Na_xMn_1-x)O₃] with x 2/7, 5/17 and 1/3

P. Roussel, E. Quarez, O. Perez and O. Mentre

 

A new example of the unified structural description in superspace of perovskite-related compounds of type A_nB_nO_3n+2. The case n > 5 with A = Na and Ca,B = Nb

A. Schönleber, F. J. Zúniga, J. M. Perez-Mato, T. Breczewski and J. Darriet

 

From harmonic modulations to quasicrystals

G. Urban and J. Wolny

 

Topological order parameter in the magnetically modulated crystals

P. Gusin and J. Warczewski

 

Modulated phases in the LiCdVO₄-LiCd₄(VO₄)₃ system. Relationships with the olivine-type structure

F. J. Zúniga, A. Ben Yahia, E. Gaudin, J. Darriet, A. Schönleber and J. M. Perez-Mato

 

Statistical approach in cluster analysis of two-dimensional quasicrystals

A. Dabrowska and J. Wolny

 

Diffraction experiments of decagonal Al-Co-Ni under high-pressure and low-temperature conditions

K. H. Hassdenteufel, G. Krauss, S. Katrych and W. Steurer

 

X-ray diffraction study of decagonal Al-Co-Ni as a function of composition

S. Katrych and W. Steurer

 

Simulation of disorder phenomena in decagonal quasicrystals

M. Kobas, T. Weber and W. Steurer

 

Periodic diffraction patterns for selected quasicrystals

J. Wolny, P. Buczek and L. Sadun

 

A new approach for solving quasicrystal structures

X. D. Zou, J. Christensen, H. Zhang, P Oleynikov and S. Hovmöller

 

Comparison of intensities from glass photo plates and imaging plates

M. S. Nickolsky, P. N. Oleynikov and A. P. Zhukhlistov

 

Two-dimensional pattern decomposition for quantitative analysis of texture patterns

P. N. Oleynikov, S. Hovmöller and X. D. Zou

 

Orientational studies of Cr₂O₃ microcrystals growing in amorphous films by means of TEM bend contour technique

V. Yu. Kolosov, C. L. Schwamm and A. G. Bagmut

 

Schlegelite, the first naturally occurring bismuth-molybdate-arsenate

H. Effenberger, W. Krause and H.-J. Bernhardt

 

The crystal structure of a new mineral hillite Ca₂(Zn,Mg)[PO₄]₂.2H₂O

O. Yakuboich, W. Massa, R. Liferovich, P. Gavrilenko, A. Bogdanova and P. Tuisku

 

Birefringence imaging of minerals using a tilting stage

A. M. Glazer and L. Pajdzik

 

Lattice aspects of crystal twinning

H. Grimmer

 

Crystal structure and chemical composition of As-rich holtite

S. S. Kazantsev, D. Yu. Pusharovsky, M. Pasero, S. Merlino, N. V. Zubkova, Yu. K. Kabalov and A. V. Voloshin

 

Microstructure of chert as shown by TEM

I. Dódony, V. Kovács Kis and P. R. Buseck

 

Structural behaviour of a Mg-hercynite crystal under oxidation

B. Lavina, F. Princivalle and A. Della Giusta

 

Cation ordering in the new Fe-rich amphibole potassicarfvedsonite

Yu. S. Lebedeva, D. Yu. Pushcharovsky, I. V. Pekov, G. Ferraris, A. A. Novakova and A. Gula

 

Models of the modular structures of two new heterophyllosilicates related to bornemanite and barytolamprophyllite

P. Németh, G. Ferraris, I. Dódony, G. Radnóczi and A. P. Khomyakov

 

Twins versus cell-twins

M. Nespolo and G. Ferraris

 

Crystal structures of wollastonite Ca(Ge_x,Si_1-x)O₃

F. Nishi, Y. Matsumoto and R. Miyawaki

 

Crystal structure of congruent lithium tantalate (CLT)

M. Okui, S. Fukushima, K. Kitamura, N. Iyi and S. Takekawa

 

Structural features of Ca₈Mg[SiO₄]₄Cl₂ - product of the people technical activity

R. K. Rastsvetaeva, A. V. Barinova and A. A. Kashaev

 

The crystal chemistry and morphology of a new arsenate: Ca₂NaH(AsO₄)₂·4H₂O

L. Torre-Fernández, J. D. Rodríguez, M. Prieto, A. Jiménez and S. García-Granda

 

Absorption and reflectance UV-VIS-IR spectroscopy application for lattice defects research in diamonds

M. A. Viktorov, A. S. Marfunin and Y. B. Shelementiev

 

Crystal structures and topology of two copper arsenates: zdenekite and mahnertite

N. V. Zubkova, D. Yu. Pushcharovsky, S. J. Teat, E. J. Maclean and H. Sarp

 

Ab initio study of the decomposition of CaSiO₃ perovskite

D. Y. Jung and A. R. Oganov

 

Crystallography of microstructural transitions in copper-based shape memory alloys

O. Adigüzel

 

The Kossel and the X-ray rotation-tilt technique - further applications in materials science

J. Bauch, M. Böhling and H.-J. Ullrich

 

Experimental study of iron-clay interactions

D. Guillaume, D. Charpentier, R. Mosser-Ruck and M. Cathelineau

 

Synthetic routes and crystallographic and thermal study of the microporous titanosilicate ETS10

E. Cazzini, M. Catti and G. Ferraris

 

Synchrotron radiation structural study of MCM-22 and CuMCM-22

G. Croce, D. Viterbo, M. Milanesio, A. Frache, L. Marchese and O. H. Pastore

 

Hydrothermal synthesis and characterization of a novel zirconosilicate

S. Ferdov, B. Mihailova, V. Kostov-Kytin, Y. Kalvachev and O. Petrov

 

Structure of zeolite MFI with tetrabutylammoniumfluoride as template

O. Kovalev and H. Gies

 

Investigations of structure parameters of chemisorbed zeolitic catalysts (faujasite type)

S. Vratislav, M. Dlouha and V. Bosacek

 

The crystal structure of isopropanol

S. A. Cirkel and R. Boese

 

Crystal and molecular structure of tetranuclear copper(II)- and zinc(II)-containing complexes based on oxime-and-amide ligands

O. Kanderal, I. Fritsky, E. Prisyazhnaya and H. Kozlowski

 

An EU-funded crystallography service at the UK synchrotron

E. J. MacLean, P. R. Raithby, J. E. Warren and A. J. Whittington

 

High-throughput physical characterization of protein solutions using microfluidics

M. O. A. Sommer, J.-C. Navarro Poulsen and S. Larsen

 

Hydrothermal synthesis of BaTiO₃ and BaTi_0.8Zr_0.2O₃ (pure and doped) fine powders

A. Thalal, A. Outzourhit, M. A. El Idrissi, M. L. Hafid and F. Bensamka

 

Cyclodextrin inclusion complexes of the local anaesthetics butamben, procaine and disoprofol: PXRD, single crystal X-ray diffraction and thermal analysis

S. Vilakazi, M. R. Caira and S. A. Bourne

 

Photosystem II reaction centres: isolation, reconstitution and crystallisation

A. Zupcanová, F. Vácha and I. Kutá Smatanová

 

Intra-atomic spin distribution probed by X-rays

H. Adachi

 

Advances in X-ray optics: improving the performance of sealed-tube-based diffraction systems

A. Coetzee, B. Schierbeek and A. Storm

 

DARTS - the commercial service at the UK synchrotron radiation source

E. J. MacLean, C. J. Pickles, A. J. Whittington and J. R. Helliwell

 

Elastic and inelastic neutron scattering on hydrogenated austenitic stainless steels

M. Hoelzel, S. A. Danilkin, D. M. Toebbens, T. J. Udovic, T. Rameriz-Cuesta, V. Rajevac, H. Wipf and H. Fuess

 

Origin of the ferroelectricity in YMnO₃

G. Nenert, H. Stokes and T. Palstra

 

Al substitution in MgB₂ single crystals: influence on structural properties and phase separation

G. Schuck, N. D. Zhigadlo, S. M. Kazakov, J. Jun and J. Karpinski

 

Polymorphism of N-(1-benzotriazolylcarbonyl)-glycine

M. Zegarac, M. Zovko, N. Kosutic-Hulita, B. Prugovecki, I. Butula and M. Dumic

 

Searching the CSD for polymorphs

J. van de Streek

 

Engineering and synthesis of silyl-substituted molecular crystals of three-fold symmetry

N. Báthori, L. Bihátsi, P. Bombicz and M. Czugler

 

Synthesis of molecular ladders in the solid state

T. Friscic, X. Gao and L. MacGillivray

 

Supramolecular synthons and crystal structure prediction of organic compounds

L. N. Kuleshova, D. W. M. Hofmann and M. Yu. Antipin

 

Hydrophobic versus hydrophilic: ionic competition in remacemide salt structures

G. R. Lewis, G. Steele, A. J. Florence and N. Shankland

 

Structural analysis of a newly identified class of plant protective microbial glycoside hydrolase inhibitors

S. Sansen, C. J. De Ranter, K. Gebruers, K. Brijs, C. M. Courtin, J. A. Delcour and A. Rabijns

 

Isostructurality in xanthenol clathrates

A. Jacobs, L. R. Nassimbeni and B. Taljaard

 

Structure and host-guest properties of nanoporous tetrakisbenzoato diaquacopper(II) framework structures with continuous channels where guest molecules can be reversibly incorporated and released

O. Kristiansson

 

Enclathration of amine solvents by resorcinarene

G. Ramon, M. R. Caira and L. R. Nassimbeni

 

Exo-functional cyclophane hosts. Crystal structures of two respective inclusion compounds

W. Seichter, I. Csöregh, R. Golbs and E. Weber

 

Characterization of (E)- and (Z)-ajoene inclusion complexes with -, -, - and permethylated--cyclodextrin using PXRD, single-crystal X-ray diffraction and thermal analysis

V. J. Smith, M. R. Caira, R. Hunter and S. A. Bourne

 

The hydrogen-bonding network in a new purine hybrid compound

L. Benguedouar and N. Benalicherif

 

The effect of temperature on the crystal structure of pyridine

S. Parsons, S. Crawford, W. I. F. David and R. M. Ibberson

 

Remarkable features in lattice parameter ratios of crystals

R. de Gelder and A Janner

 

Hydrogen-induced structure transition in LaNi₃B

Y. Filinchuk and K. Yvon

 

The perils of large 'small' molecules - successful refinement of metallosupramolecular grid-like assemblies

P. Horton, M. Hursthouse and C. Matthews

 

Protein conformer selection by sequence-dependent packing contacts in crystals of 3-phosphoglycerate kinase

Z. Kovári and M. Vas

 

Structural phase transitions in the crystals of 1-phenyl-2-methyl-4-nitro-5-bromoimidazole

M. Kubicki

 

Novel type of Cu^II complex containing Schiff base

V. Langer, P. Mach, D. Gyepesová, M. Kohútová and A. Valent

 

Using symmetrised structure components to improve the refinement of an occupancy modulated structure

A. D. Rae and A. Linden

 

Structural aspects of the metal-insulator transition in BaVS₃

S. Fagot, P. Foury, J.-P. Pouget, S. Ravy, E. Elkaim, G. Popov, M. V. Lobanov, M. Greenblatt and M. Anne

 

Towards an understanding of molecular crystals from powder X-ray diffraction techniques

E. Y. Cheung, A. J. Hanson, S. Habershon, F. Guo and K. D. M. Harris

 

Crystal-structure determination of '-stable triacylglycerides of the type C_nC_n+2C_n (n = even)

D. J. A. De Ridder, M. M. Pop, J. B. van Mechelen, K. Goubitz, D. Pruissen, R. Driessen, R. Peschar and H. Schenk

 

Effects of Er substitution for Nd on structural and magnetic properties of Nd_1-xEr_xMn₂Ge₂ (0 x 1)

I. Dincer, A. Elmali and Y. Elerman

 

In situ time-resolved study of fast chemical reactions using X-ray powder data

H. K. R. Dunn, G. B. M. Vaughan and A. Kvick

 

Magnetic properties of Pr_1-xGd_xMn₂Ge₂

Y. Elerman, A. Elmali and I. Dincer

 

Magnetic properties of NdMn_2-xCu_xGe₂ compounds

A. Elmali, Y. Elerman and I. Dincer

 

Effect of Tb substitution on structural and magnetic properties of La_1-xTb_xMn₂Si₂ (0 x 0.5)

B. Emre

 

Gaining information at low temperature with laboratory capillary X-ray powder data collection

P. Fernandes, A. Florence, N. Shankland, W. I. F. David and K. Shankland

 

The set-up of the structure powder diffractometer (SPODI) at the FRM-II

H. Fuess, R. Gilles, M. Hoelzel, M. Schlapp, B. Krimmer and H. Boysen

 

High-throughput crystallography - what to do with 1000 powder patterns

C. Gilmore, G. Barr and W. Dong

 

Selective and direct localization of cations in zeolite by using anomalous powder diffraction

H. Palancher, J. L. Hodeau, J. F. Berar, Ch. Pichon, B. Rebours, J. Lynch and J. Rodriguez-Carvajal

 

Portable simultaneous XRF/XRD device for an in-line phase monitoring of ferroelectrics production

N. S. Ibraimov, E. V. Likhoushina, M. V. Yudina, A. A. Bolotokov, Zh. A. Dolgaya and V. A. Golovin

 

Crystal structure solution from powder data of selected organic compounds

W. Lasocha, A. Rafalska-Lasocha and K. Surówka

 

X-ray diffraction study of gallstones

E. Nikitina, G. Kuz'micheva, S. Orlova and Yu. Efimova

 

Characterisation of insulin microcrystals with X-ray powder diffraction

M. Norrman and G. Schluckebier

 

New-discovered principles of substructure inhomogeneity in metal materials with developed crystallographic texture

Yu. Perlovich, M. Isaenkova and V. Fesenko

 

The focusing mirror: a new optical setup for measuring samples in glass capillaries

S. Prugovecki and M. Fransen

 

Crystal structure solution of the low- and high-temperature forms of potassium dawsonite: an intermediate compound in the alkaline hydrolysis of calcium aluminate cements

L. Fernández-Carrasco and J. Rius

 

Corrosion monitoring of oil-field equipment using XRD phase analysis

I. E. Sajó, N. Al-Roba, R. Elalem and A. Marei

 

Crystal structure of chocolate from powder diffraction data

R. Peschar, M. M. Pop, D. J. A. De Ridder, J. B. van Mechelen, R. A. J. Driessen and H. Schenk

 

Distributed computing for crystallographic structure determination

K. Shankland, A. J. Markvardsen and W. David

 

Collaborative computational project number 14 for single crystallography and powder diffraction (CCP14)

R. Stephenson, J. Cockcroft, R. Cernik, D. Watkin and L. M. D. Cranswick

 

Thermal expansion of chromium-doped mullite

E. Tkalcec, B. Grzeta and H. Ivankovic

 

Relationship between composition, structure, preparation and properties of langasite family phases

E. Tyunina, G. Kuz'micheva and E. Domoroschina

 

High-resolution XRD and imaging polycrystalline microstructures by moving area detector with high-energy synchrotron radiation

L. Wcislak, H. J. Bunge, H. Klein, U. Garbe and J. R. Schneider

 

Routine crystal structure determination from laboratory X-ray powder diffraction data

X. Xu, A. Florence, N. Shankland, K. Shankland, W. I. F. David and A. F. Kennedy

 

Quantitative electron diffraction structure analysis

A. Avilov

 

Influence of partial substitutions of bismuth for potassium and copper for lithium on structural and electric properties of Bi₂CuO₄ compound

A. Bekka, M. Sellami and N. Bettahar

 

Structural study of thermal stability of nanocrystalline iron and copper prepared by high-pressure torsion deformation

V. Cherkaska, Z. Matej, R. Kuzel, J. Pesicka, J. Cízek, I. Procházka and R. K. Islamgaliev

 

Thermal behaviour of nanocrystalline SnO₂ doped with antimony

B. Grzeta, E. Tkalcec, M. Takeda and M. Takahashi

 

Microstructure of severely deformed Mg(Al) alloys from X-ray diffraction peak profile analysis

J. Gubicza and N. H. Nam

 

Equi-channel angular pressing of zirconium: features of structure and texture development

Yu. Perlovich, M. Isaenkova, V. Fesenko, M. Grekhov, S. H. Yu and S. K. Hwang

 

The structure and photoluminescence properties of Al:ZnO/porous silicon

H. Park, K. Prabakar, J.-H. Oh, D.-W. Park, W.-S. Ahn and C. Lee

 

The analysis of the diffuse background on C₆₀ fullerite X-ray pattern

L. Lugovskaya, L. Aleshina, A. Fofanov and R. Osaulenko

 

Real structure analysis of nanocrystalline and submicrocrystalline materials using X-ray diffraction

Z. Matej, V. Cherkaska and R. Kuzel

 

Electrocrystallization of Pt on Au substrates. XRD study

I. Yu. Molina, L. M. Plyasova and E. R. Savinova

 

The formation of nanocrystalline structure in amorphous Fe-Si-B alloy by severe plastic deformation

G. E. Abrosimova, A. S. Aronin, S. V. Dobatkin, I. I. Zver'kova, S. D. Kaloshkin, D. V. Matveev, O. G. Rybchenko and E. V. Tatyanin

 

Nano-dimensional twins as the manifestation of the nano-structuredness of Ba_1-xLa_xF_2+x and Ca_1-xLa_xF_2+x crystals

B. Sobolev, P. Herrero, S. Maksimov and A. Avilov

 

Vacancy distribution in maghemite

E. Sváb, Gy. Mészáros, Z. Somogyvári, K. Krezhov, I. Sajó, F. Bourée, I. Dézsi, Cs. Fetzer and A. Gombköto

 

XRD analysis of tungsten thin films

I. Djerdj, And. M. Tonejc, Ant. Tonejc and N. Radic

 

A structure-matching algorithm for problems involving Z' > 1 structures

R. I. Cooper and D. Watkin

 

Treatment of non-merohedral twins

R. Herbst-Irmer

 

High-performance computing and Grid applications in high-throughput protein crystallography

R. M. Keegan, D. Meredith, G. Winter and M. D. Winn

 

A computer program for transition paths of phase transitions with no group-subgroup relation between the phases

C. Capillas, J. M. Perez-Mato and M. I. Aroyo

 

Design of a graphical user interface for the control of a new X-ray parallel-beam powder diffractometer via Internet

Z. Izaola and G. Madariaga

 

Searching for substructures in polyhedral topologies of inorganic crystal structures

H.-J. Klein

 

Variable-temperature experiments performed using automated in-house software

M. Light, S. Coles and M. Hursthouse

 

Developments in data harvesting within CCP4

M. D. Winn, P. Patel and E. Krissinel

 

FITYK - peak-fitting software with support for powder patterns analysis

M. Wojdyr, S. Gierlotka and B. Palosz

 

Establishing wafer surface defects using polycapillary optics

E. V. Likhoushina, M. A. Kumakhov, N. S. Ibraimov, S. V. Nikitina, A. A. Bolotokov, A. D. Zvonkov, A. V. Lyutsau and M. V. Yudina

 

New possible applications of Kumakhov polycapillary optics in X-ray diffraction microscopy (X-ray topography)

A. V. Lyutsau, V. G. Lyutsau, M. A. Kumakhov, N. S. Ibraimov, S. V. Nikitina, E. V. Likoushina, A. D. Zvonkov and A. V. Kotyolkin

 

Spatial micrometer-resolution three-dimensional local lattice misorientation determination of GaAs wafers by synchrotron radiation rocking-curve imaging

P. Mikulík, P. Pernot, L. Helfen, D. Lübbert, D. Korytár and T. Baumbach

 

XRD complex for controlling orientation and lattice elastic deformation in 12-inch wafers

A. D. Zvonkov, M. A. Kumakhov, N. S. Ibraimov, A. V. Lyutsau, S. V. Nikitina, A. V. Kotyolkin, A. E. Bulkin, Yu. S. Ivanovsky, E. V. Likhoushina, A. A. Bolotokov and M. V. Yudina

 

The fcc-bcc Bain path in binary alloys under high pressure: valence electrons as a driving force

V. Degtyareva

 

Monoclinic phases of Ce and Pr: crystal structure and thermodynamical stability

V. Dmitriev, A. Kuznetsov, O. Bandilet, P. Bouvier, L. Dubrovinsky, D. Machon and H.-P. Weber

 

Effect of high pressure on the crystalline glycine: a new high-pressure polymorph formation

S. N. Ivashevskaya, E. V. Boldyreva, H. Sowa, H. Ahsbahs and H.-P. Weber

 

In situ diffraction study of C₆₀ polymerization

L. Marques, M. Mezouar and J.-L. Hodeau

 

High-pressure crystallographic study of L-cysteine, the route to a new polymorph

S. Moggach, S. Parsons and D. R. Allan

 

High-temperature modification of dicopper divanadate

R. G. Zakharov, S. A. Petrova, T. I. Krasnenko and M. V. Rotermel

 

Structural and vibrational properties of SiC under very high pressure

E. V. Yakovenko, J. C. Chervin, M. Gauthier, J. P. Itié, A. Polian and M. Mezouar

 

Temperature dependence of microstructure of quenched and aged Al-Zn alloys

S. Popovic and Z. Skoko

 

Discrete stochastic structure evolution in Pd-Mo and Pd-Ta alloys after hydrogenation

A. A. Anishchenko, V. M. Avdyukhina, A. A. Katsnelson and G. P. Revkevich

 

Synthesis, structure and oxygen stoichiometry of a new family NdSrNi_1-xCu_xO_4- 0 x 1

H. Chaker, R. Ben Hassen, T. Roisnel, M. Potel and T Bataille

 

Neutron diffraction study and RMC modelling of borosilicate matrix glasses

M. Fábián, E. Sváb, Gy. Mészáros, L. Koszegi and E. Veress

 

X-ray study of modulated BiMeVOXes (Me = Cu, Ni, Mg, Zn) single crystals

A. Gagor, A. Pietraszko and F. Krok

 

Influence of temperature on disorder of a coordinated dimethylsulfoxide molecule

I. Halasz and E. Mestrovic

 

-Li₃InF₆, a ternary fluoride lithium with a new structure type

M. Hamadene, F. Balegroune, A. Guehria, J. Grannec and J. Ravez

 

On the microscopic structure of some aqueous electrolyte solutions

I. Harsányi and L. Pusztai

 

Structural polymorphism in calcium aluminate (CaAl₂O₄:Eu²⁺) persistent luminescence materials

J. Hölsä, M. Lastusaari, H. Mutka, J. Niittykoski, C. Ritter and M. Tukia

 

Dynamics of entropy production of disordered materials

M. Ochiai, R. Ozao and G. Casati

 

Crystal structure of incommensurate and commensurate modulated phases of ferroelectric [4-NH₂C₅H₄NH][SbCl₄]

A. Pietraszko, R. Czopnik and R. Jakubas

 

Alkali ion disorder in (Na,Li)₂FeTi(PO₄)₃ and Na₂FeZr(PO₄)₃ NASICON phases by neutron diffraction

M. Sommariva, M. Catti and A. Comotti

 

Ferroelectric behavior in perovskite ceramics of composition Ba_1-xY_2x/3TiO₃

K. Taibi, C. Abdellaoui, A. Guehria-Laidoudi, A. Simon and J. Ravez

 

Orientational ordering in liquids of diatomic molecules

L. Temleitner and L. Pusztai

 

Disorder in chloronitrobenzene derivatives

L. H. Thomas, J. M. Cole and C. C. Wilson

 

Diffuse neutron scattering from flexible molecules

T. R. Welberry, D. J. Goossens, A. P. Heerdegen, W. I. F. David, M. J. Gutmann and M. J. Bull

 

Atomic displacement parameters of the -polymorph of p-dichlorobenzene measured between 15 and 300 K

T. Aree, M. Hostettler, D. Chernyshov and H.-B. Bürgi

 

Comparison of oligosilyl dipotassium structures

J. Baumgartner and C. Marschner

 

Steroidal structures from the synthesis of desogestrel

G. Bombieri, D. Colombo, N. Marchini and E. Modica

 

X-ray diffraction study of novel luminescent iridium complexes

K. F. Bowes and J. M. Cole

 

Crystal structure of the superionic phase of CsH₂PO₄ and CsD₂PO₄

W. Bronowska and A. Pietraszko

 

Generic phase diagrams for spin-crossover solids showing ordering phenomena

D. Chernyshov, K. Törnroos, M. Hostettler and H.-B. Bürgi

 

Anisotropy of structural compression of selected organic molecular crystals on cooling

T. N. Drebushchak, E. V. Boldyreva and E. N. Kolesnik

 

Molecular conductors with mercury-containing anions: structure-property relationship

O. Dyachenko

 

Scheme of orthomolybdates, K_xCo_y(MoO₄)_z

J. Engel, K. G. Bramnik, E. Muessig and H. Ehrenberg

 

Dimethyl 2,2'-(4,5-dicyano-o-phenylenedioxy)dibenzoate

N. Ocak, O. Büyükgüngör, N. Akdemir, E Agar, M. Özil and A. Erdönmez

 

A new germanium zeotype with 14R channels

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

 

Structural aspects of some Cu^II complexes containing Schiff base

D. Gyepesová, V. Langer, E. Scholtzová, M. Kohútová and A. Valent

 

Molecular complex formation of various cationic surfactants with perfumes and the stability of the complexes

N. Iimura and Y. Ohashi

 

Intramolecular hydrogen bonding and tautomerism in 1-[(2-hydroxyphenylamino)methylene]-2-(1H)-5-phenylazosalicylalenone

R. Kia, A. Esmaeilbeig and S. Harkema

 

Rietveld structure refinement of [Pt(NH₃)₄][ReCl₆]