Acta Crystallographica Section A

Foundations of Crystallography

Volume 56, Supplement (August 2000)

Abstracts of the Nineteenth European Crystallographic Meeting

Nancy, France, 25-31 August 2000

• abstracts

abstracts

 

Decoding the genetic information on the ribosome at close to atomic resolution

A. Yonath

 

Information transfer in proteins: combining crystallographic and genomic approaches

L. Moulinet, O. Poch, J. C. Thierry and D. Moras

 

Ab Initio Prediction of Crystal Structures

B. P. van Eijck

 

Structural Phase Transitions of Simple Metals under Pressure

K. Syassen

 

Structural Features and Instabilities in Low Dimensional Conductors

J.-P. Pouget

 

The Probabilistic Theory of the Structure Invariants Assuming a Substructure to be Known

H. Hauptman and H. Xu

 

X-ray diffraction, an efficient tool for industry: the case of Cosmetic Research

J. L. Lévêque

 

Femtosecond imaging of biomolecules by X-rays

R. Neutze, R. Wouts, D. van der Spoel, E. Weckert and J. Hajdu

 

Modular aspects in mineral and inorganic structures

G. Ferraris

 

The phase problem at medium resolution

P. Main, J. Wilson and G. Reynolds

 

State of the art of structure analysis using powder diffraction data

L. B. McCusker

 

The structure of a bacterial 30S ribosomal subunit

V. Ramakrishnan, D. Brodersen, A. P. Carter, W. M. Clemons Jr, R. Morgan-Warren and B. T. Wimberly

 

Intermolecular interactions involving halogen substituents

I. Csöregh

 

Superspace Description of Incommensurate and Commensurate Structures beyond the Perturbative /Modulation Approach

J. M. Perez-Mato

 

Aperiodicities in 2201 and 2212 cuprates, ferrites and cobaltites: differences and similarities

D. Grebille, O. Pérez, N. Jakubowicz and H. Leligny

 

Refinement of Modulated Structures against Powder Diffraction Data with JANA

M. Wunschel, R. E. Dinnebier, S. van Smaalen, M. Dusek and V. Petricek

 

The crystal geometry of modulation waves and the thermal expansion anomalies in IC phases

V. Shekhtman and B. Bagautdinov

 

Cluster covering of dodecagonal and related structures

S. I. Ben-Abraham, P. Gummelt, R. Lück and F. Gähler

 

DFT calculations on KTiOPO₄ (KTP) used in nonlinear optics

K. Schwarz, P. Blaha, P. Delarue, C. Lecomte, V. Jennings and P. A. Thomas

 

Experimental charge densities of novel thermoelectric clathrate materials

B. B. Iversen

 

Charge density analysis in semiconducting charge transfer complexes: a comparison between experiment and DFT calculations

C. Katan, P. Rabiller, L. Toupet, M. Souhassou, N. Hansen and C. Lecomte

 

Spin densities in new molecular magnetic compounds

B. Gillon and J. A. Stride

 

Electron density distribution in stishovite, SiO₂: a high energy synchrotron radiation study

A. Kirfel and T. Lippmann

 

Making use of experimental charge densities

M. A. Spackman

 

Exploiting the theoretical electron and spin densities

C. Gatti

 

Application of the theory of atoms in molecules in the critical analysis of the experimental charge density model

A. Volkov, Yu. Abramov and P. Coppens

 

A Charge Density Study on Vitamin B12

B. Dittrich, A. Wagner, P. Luger, T. Koritsánsky, H. G. Krane and H. Schmidt

 

Electron correlation effects through analysis of electron densities

S. Ragot, P. J. Becker and J. M. Gillet

 

Ab Initio Crystal Structures Solution of Macromolecules

M. C. Burla, M. Camalli, B. Carrozzini, G. Cascarano, C. Giacovazzo, G. Polidori and R. Spagna

 

Refinement of Twinned Structures with SHELXL-97

R. Herbst-Irmer

 

Structure Validation: A Moving Target

D. J. Watkin, R. Cooper and C. K. Prout

 

Structure Solution with PATSEE: Where are the limits?

K. Wagner, S. Rühl and E. Egert

 

Twinning in Chemical Crystallography: How to Discover what is Disguised

M. Bolte

 

Modelling and Refinement in Crystallography: An Overview

S. Parsons

 

Incommensurate structures: modeling beyond the 3rd dimension

G. Chapuis

 

From modeling and refinement to refinement with modeling

D. Turk

 

From maps to molecules in minutes

T. J. Oldfield

 

ARP/wARP: Procedures for automated model building and refinement

A. Perrakis, R. Morris and V. Lamzin

 

Interference phenomena in X-ray Scattering. Physics, Methodology, Application to phase - sensitive measurements

M. V. Kovalchuk and S. Zheludeva

 

Focused X-ray Beams: A Renaissance in Laboratory-Based Diffraction Experiments

B. K. Tanner, M. Taylor, J. Wall, N. Loxley, L. Pina and D. K. Bowen

 

Basics and Modern Applications of 2-D Bent Crystals

E. Förster, I. Uschmann and O. Wehrhan

 

Imaging using Bragg and Fresnel diffraction of hard X-rays

P. Cloetens, W. Ludwig, J. P. Guigay, P. Rejmánková-Pernot, J. Baruchel and M. Schlenker

 

Short and long-range order at surfaces probed by surface X-ray diffuse scattering

M. Sauvage-Simkin, Y. Garreau, K. Aïd, N. Jedrecy and R. Pinchaux

 

HRTEM contribution to the reactivity of rock-forming silicates

A. Baronnet

 

Structure determination from electron diffraction intensities: practical applications in materials science

J. Gjonnes, V. Hansen and K. Gjonnes

 

Microstructures of Polygonal Serpentines from HRTEM Imaging, Electron Diffraction, and Simulation Data

B. Devouard and A. Baronnet

 

The investigation of structural defects in rare-earth yttrium aluminium garnets

S. A. Smirnova

 

The new electron diffraction method for investigation of crystals with low symmetry

M. G. Kyazumov

 

Strain and Morphology in Nano-Patterned Semiconductors

T. Baumbach, D. Lübbert, C. Giannini and J. Eymery

 

Detection and chemical analysis of nanophases at grain boundaries by high resolution and energy filtered electron microscopy

J. M. Pénisson, M. Bacia and T. Vystavel

 

The new analytical high-resolution electron microscopes - the perfect tool for nanoscience

L. R. Wallenberg

 

Total external fluorescence and XRSW study of multilayer nanostructures

S. Zheludeva

 

Characterization of binary and ternary fuel cell catalysts by XRD and TEM

C. Roth, N. Martz and H. Fuess

 

Crystal Structure and Morphology of Polymers

B. Lotz

 

Electron Crystallography on small organic molecules with high NLO activity

U. Kolb, G. Nosova and I. G. Voigt-Martin

 

Solving and Refining Crystal Structures Using Electron Diffraction Data

C. J. Gilmore and A. Stewart

 

Electron Powder Diffraction - An old topic rediscovered for structure determination of nanocrystalline materials

T. E. Weirich

 

TEM investigations on microcrystalline SiO₂

C. Wahl, G. Miehe and H. Fuess

 

Recent developments in the realization of a practical pressure scale for extreme conditions

W. B. Holzapfel

 

Advances in high-pressure experiments combining XAS, temperature scans, and ESXD

A. Filipponi, P. Itiè and A. Di Cicco

 

Structural transitions related to magnetic phenomena under high pressure

G. Kh. Rozenberg and M. P. Pasternak

 

Low temperature structural studies of molecular crystals under pressure. X-ray diffraction equipment for (P+T) phase diagram investigations

Y. Barrans, J. Gaultier, D. Le Pevelen, P. Guionneau and D. Chasseau

 

Structure of Liquids at High Pressure Probed by X-ray Diffraction

M. Mezouar, S. Bauchau and G. Blattman

 

High-Pressure powder crystallography using synchrotron- and neutron-radiation

M. Kunz

 

The chemical bond under high pressure and at high temperature: semiconductor to metal transition in covalent systems

J.-P. Gaspard and J.-Y. Raty

 

Structural and Thermodynamic Properties of Hydrogen-Bonded Solids

A. Katrusiak

 

Neutron Diffraction Study of ND₄I and ND₄Br Structure at High Pressure and Low Temperature

D. P. Kozlenko, B. N. Savenko, V. P. Glazkov, V. A. Somenkov and S. Hull

 

High-pressure synthesis of the high-Tc mercury cuprates: an in-situ synchrotron diffraction study

P. Bordet, S. LeFloch, C. Bougerol-Chaillout, M. F. Gorius, A. Prat and M. Mezouar

 

Technical Advances for Time Resolved Studies in Materials Sciences

H. Graafsma

 

Picosecond time-resolved X-ray diffraction of the short living excited states of electron-transfer compounds

S. Techert, F. Schotte, H. Staerk, K. A. Zachariasse and M. Wulff

 

In situ studies of zeolite dehydration reactions

K. Ståhl

 

X-ray microbeam diffraction: Rapid multilength- scale characterization spanning micrometers to millimeters

S. R. Stock

 

Application of electron back-scatter diffraction to grain boundary surfaces

V. Randle, H. Davies, R. Wilson and I. Pearce

 

Local Structural Characterization within Polycrystalline Bulk Materials by High Energy Synchrotron Radiation

U. Lienert, H. F. Poulsen, D. Juul Jensen, E. M. Lauridsen, S. F. Nielsen and L. Margulies

 

Structural and analytical characterization of semiconductor quantum structures by TEM

W. Neumann, R. Schneider and H. Kirmse

 

TEM investigation of catalysts for the direct oxidation of methanol in membrane fuel cells

N. Martz, C. Roth and H. Fuess

 

Overview of Internet technologies and remote use of applications

V. Casarosa

 

Using the WWW to construct Graphic User Inter-faces to Remote Applications

A. W. Hewat

 

The Genetic Diversity of available Crystallographic software freely obtainable via the internet

L. M. D. Cranswick

 

Maud: a Rietveld analysis program designed for the internet and experiment integration

L. Lutterotti

 

Teaching Diffraction Using Computer Simulations over the Internet

Th. Proffen and R. B. Neder

 

How much have systematic studies on protein crystallization influenced current practices in protein crystallography

M. Budayova-Spano and J. C. Fontecilla-Camps

 

Novel Cryo-cooling techniques

S. Panjikar, A. Riboldi-Tunnicliffe and R. Hilgenfeld

 

Gearing Up for Structural Genomics: The Challenge of Hundreds of Proteins and Hundreds of Thousands of Crystallization Experiments Per Year

J. R. Luft, J. Wolfley, R. Collins, M. Bianca, D. Weeks, I. Jurisica, P. Rogers, J. Glasgow, S. Fortier and G. T. DeTitta

 

Crystallization of Aldose Reductase leading to Single Wavelength (0.66  Å) and MAD (0.9  Å) subatomic resolution studies

E. I. Howard, R. Cachau, A. Mitschler, P. Barth, B. Chevrier, V. Lamour, A. Joachimiak, R. Sanishvili, M. Van Zandt, D. Moras and A. Podjarny

 

A novel, fusion protein strategy for membrane protein crystallization

B. Byrne, M. Jormakka, J. Abramson and S. Iwata

 

Round-Table Discussion: Crystallography in Africa

J. Boyens, A. Thalal, F. Allen, L. Aslanov and G. Kamau

 

Moroccan crystallography situation

A. Thalal, B. Tanouti and N. Bouhmaida

 

Synthesis, structure and electrochemistry of substituted heteropolyanions

I. M. Mbomekalle, E. Ngameni, S. Ponou and Y. A. Mbiangue

 

Anomalous Diffraction with Soft X-ray Synchrotron Radiation

P. Carpentier, C. Berthet-Colominas, M. Capitan, M.-L. Chesne, E. Fanchon, R. Kahn, S. Lequien, H. Stuhrmann, D. Thiaudière, J. Vicat and P. Zielinski

 

A combined anomalous scattering and direct methods approach to solve apocrustacyanin proteins (C₁ and A₁)

A. Olczak, M. Cianci, J. Raftery, P. J. Rizkallah, D. Moorcroft, E. J. Gordon, S. McSweeney, N. E. Chayen, P. Zagalsky and J. R. Helliwell

 

Anomalous Dispersion Experiments in Microporous Materials Crystallography

V. Kaucic, N. Zabukovec Logar, M. Helliwell and J. R. Helliwell

 

Use of map connectivity properties in macromolecular ab-initio phasing

N. L. Lunina, V. Y. Lunin and A. G. Urzhumtsev

 

Thermal Neutron Laue Diffraction Using the Diffractometer LADI at the ILL

J. A. Cowan, G. J. McIntyre, C. Wilkinson, D. D. A. Myles and J. A. K. Howard

 

Resonant X-ray Scattering: Applications to the study of magnetism

C. Vettier

 

Anisotropy of resonance X-ray scattering and forbidden reflections in crystals and incommensurate structures

V. E. Dmitrienko and E. N. Ovchinnikova

 

Diffraction Anomalous Fine Structure for probing local structure: strain, ordering, low dimensionality effects

M. G. Proietti, H. Renevier, S. Grenier, G. Subias, L. Gonzalez, J. M. Garcia, J. L. Hodeau and J. Garcia

 

Multiple Scattering approach to DAFS: Surface and Interface applications

R. Felici, M. Benfatto and V. Formoso

 

Applications of resonant X-ray scattering in the hard- and soft-X-ray regime

U. Staub

 

State-of-the-art in time-of-flight neutron diffraction

C. C. Wilson

 

The use of neutron polarimetry for general antiferro-magnetic structure determination and the measurement of antiferro-magnetic density

F. Tasset

 

Neutron diffraction studies in the 50  GPa pressure range: recent results on magnetic structures and phase transitions

I. N. Goncharenko, I. Mirebeau, J.-M. Mignot, A. Ochiai and S. Carlson

 

Fast Powder Diffraction with a New PSD at the High Intensity Neutron Diffractometer D20

T. C. Hansen and P. Convert

 

Hole and Electron Doping in Bi_1-xCa_xMnO₃ (0x1) Investigated by Neutron and Synchrotron X-ray Diffraction

J. L. García-Muñoz, M. A. G. Aranda, A. Llobet, C. Frontera, J. A. Alonso and C. Ritter

 

Hierarchical structure of bone and wood studied by scanning X-ray scattering

P. Fratzl, P. Roschger, I. Zizak, H. Lichtenegger, O. Paris and K. Klaushofer

 

X-ray diffraction: an excellent tool in studying the skin structure

J. A. Bouwstra, G. S. Gooris and M. Ponec

 

Muscle contraction studied with interference X-ray diffraction

M. Reconditi, M. Linari, L. Lucii, G. Piazzesi, P. Bösecke, T. Narayanan, M. Irving and V. Lombardi

 

About X-ray damage on Crystalline Biological Samples

R. B. G. Ravelli and S. M. McSweeney

 

SAXS and shape determination studies of Escherichia coli L-asparaginase II in solution

M. Kozak, D. Svergun, M. Malfois, M. H. J. Koch and S. Jurga

 

The Study of Light-Induced Transient Species by Crystallographic Methods

P. Coppens

 

Electric field driven structural changes in DKDP

S. J. van Reeuwijk, A. Puig-Molina and H. Graafsma

 

X-ray diffraction imaging of LiNbO₃ crystals with electric field induced modifications

P. Pernot-Rejmánková, J. Baruchel and W. Laprus

 

Macroscopic and microscopic polarization in dielectrics

R. Resta

 

Cooperative electron transfer at thermo- and photo-induced neutral-ionic phase transformations

E. Collet, M. H. Lemée-Cailleau, M. Buron, H. Cailleau, T. Luty, S. Koshihara, S. Techert, M. Wulf and F. Moussa

 

The Structure of a new intermediate on the Rotary Catalytic Cycle of F₁-ATPase

A. G. W. Leslie, R. I. Menz and J. E. Walker

 

The RNA-dependent RNA polymerase of hepatitis C virus: 3D structure and implications for viral replication

S. Bressanelli, L. Tomei, A. Roussel, I. Incitti, R.-L. Vitale, M. Mathieu, R. De Francesco and F. A. Rey

 

Structural basis for the oxygenation of flavonols by flavonol 2,3-dioxygenase

R. A. Steiner, P. I. van Noort, M. R. Egmond and B. W. Dijkstra

 

Crystallographic studies of the interaction between the Ferredoxin:NADP+:Reductase and Ferredoxin

R. Morales, M. H. Charon and M. Frey

 

Crystal Structure and Enzyme Mechanism of ?⁵-3 Ketosteroid Isomerase

B.-H. Oh, H.-S. Cho, G. Choi and K. Y. Choi

 

Roundtable on Structural Genomics

G. G. Dodson and U. Heinemann

 

The structure of the 50S ribosomal subunit at 2.7 Å resolution

P. Nissen, N. Ban, J. Hansen, P. B. Moore and T. A. Steitz

 

New crystal Structures of Ribosomal Proteins Associated with Peptide Bond Formation and GTPase Activation

M. C. Wahl

 

Functional implications of tRNA Mimicry. Crystal Structure of Ribosome Recycling Factor

M. Selmer, S. Al-Karadaghi, G. Hirokawa, A. Kaji and A. Liljas

 

Proofreading mechanism hypothesis based on the structure of the Methionyl-tRNA synthetase liganded to L-methionine

L. Serre, G. Verdon, T. Choinowski, N. Hervouet, J. L. Risler and C. Zelwer

 

tRNA^Arg recognition by yeast Arginyl-tRNA synthetase: crystal structure of the yeast arginyl-tRNA synthetase-yeast tRNA^Arg complex at 2.2 Å

B. Delagoutte, D. Moras and J. Cavarelli

 

3D Crystallization and Structural Studies of Integral Membrane Proteins in Lipidic Cubic phases

P. Nollert, M. L. Chiu, M. C. Loewen, A. Royant, H. Behrhali, K. Edman, J. Hajdu, R. Neutze, E. Pebay-Peyroula and E. M. Landau

 

Crystal structure at 2.2 Å resolution of fumarate reductase, a respiratory membrane protein complex from Wolinella succinogenes

C. R. D. Lancaster

 

Structure and Regulation of Outer Membrane Phospholipase A

H. J. Snijder, J. H. van Eerde, R. L. Kingma, I. Ubarretxena, K. H. Kalk, H. M. Verheij, M. R. Egmond, N. Dekker and B. W. Dijkstra

 

The structure of the haem-copper oxidase from Escherichia coli and binding site for ubiquinone

J. Abramson, S. Riistama, G. Larsson, A. Jasaitis, M. Svensson-Ek, L. Laakkonen, A. Puustinen, S. Iwata and M. Wikström

 

Crystallization of the reaction center of photosystem ii and of reaction center components

N. Adir, R. Anati, V. Cheredman, Y. Dobrovetzki and N. Lerner

 

The Molecular Mechanism of Muscle Contraction

K. C. Holmes

 

Rotary mechanism of ATP synthase

J. E. Walker

 

Cutting complexity down to size: Structural and mutational studies of the eukaryotic 20S proteasome

M. Groll, R. Huber, M. Glickman, C. Crews, G. Bourenkow, H. Bartunik and D. Finley

 

Crystal structure of a gamma-herpes virus cyclin/cdk complex

G. L. Card, P. Knowles and N. Q. McDonald

 

The striking similarity between the bacterial cell division protein FtsA and actin

F. M. I. van den Ent and J. Löwe

 

Crystallographic dissection of the spliceosomal snRNP structures

K. Nagai, C. Kambach, S. Walke, R. Young, C. Oubridge, S. Price, P. Evans and J. Li

 

Structural studies of Sm-related proteins from archaea

I. Törõ, C. Mayer, S. Thore, J. Basquin, H. Dreher, M. Dreher, B. Séraphin and D. Suck

 

Bacterial conjugation machinery

X. Gomis-Rueth, G. Moncalian, A. Guasch, F. de la Cruz and M. Coll

 

Crystal structure of the E. coli DNA mismatch repair protein MutS in complex with a GT mismatch

M. Lamers, A. Perrakis, J. Enzlin, H. Winterwerp, N. de Wind and T. K. Sixma

 

Crystal structure of the S15-rRNA complex at 2.8  Å resolution

A. Nikulin, A. Serganov, E. Ennifar, S. Tishchenko, N. Nevskaya, W. Shepard, C. Portier, M. Garber, B. Ehresmann, C. Ehresmann, S. Nikonov and P. Dumas

 

Recent Advances in Metalloprotein Crystallography

A. Messerschmidt

 

A Novel Type of Catalytic Copper Cluster in Nitrous Oxide Reductase

K. Brown, M. Tegoni, M. Prudêncio, A. Pereira, S. Besson, J. Moura, I. Moura and C. Cambillau

 

Dioxygen reduction in strict anaerobes. Crystal structure of rubredoxin: oxygen oxidoredutase (ROO) from Desulfovibrio gigas

C. Frazão, G. Silva, C. M. Gomes, P. Matias, R. Coelho, L. Sieker, S. Macedo, M. Y. Liu, S. Oliveira, M. Teixeira, A. V. Xavier, C. Rodrigues-Pousada, M. A. Carrondo and J. Le Gall

 

Zinc ion mediated amino acid recognition by threonyl-tRNA synthetase

R. Sankaranarayanan, A.-C. Dock Bregeon, B. Rees, M. Bovee, J. Caillet, P. Romby, C. Francklyn and D. Moras

 

Structure of the reduced form of the Iron-only Hydrogenase from Desulfovibrio desulfuricans ATCC 7757

Y. Nicolet, X. Vernede, C. E. Hatchikian and J. C. Fontecilla-Camps

 

Protein Crystallography and Structure Based Drug Design

L. N. Johnson, M. E. M. Noble, J. A. Endicott, K. A. Watson and N. G. Oikonomakos

 

Dihydropyrimidine dehydrogenase - a target for improved cancer therapy

G. Schneider

 

Design of Inhibitors of the Hepatitis C Virus Serine Protease: Modelling and Experimental Results

U. Koch, C. Gardelli, F. Narjes, V. G. Matassa and C. Steinkühler

 

Towards understanding bacterial virulence:The first crystal structure of a Legionella protein

R. Hilgenfeld, A. Vogel, J. Hacker, R. Köhler, G. Fischer, B. König and A. Riboldi-Tunnicliffe

 

X-ray structures of complexes of SH2-Grb2 domain with high affinity inhibitors

P. Nioche, W. Q. Liu, I. Broutin, M. Vidal, C. Garbay and A. Ducruix

 

Structural Plasticity in the major capsid protein VP6 of rotaviruses revealed by combined X-ray crystallography and electron cryo-microscopy analyses

M. Mathieu, I. Petipas, J. Lepault, I. Erk, J. Navaza, V. Prasad, J. Cohen and F. A. Rey

 

Self recognition in the immune system: structure of a Natural Killer receptor bound to its MHC class I ligand

J. Tormo, K. Natarajan, D. H. Margulies and R. A. Mariuzza

 

The architecture and function of the polymerase of a dsRNA virus

J. M. Grimes, S. Butcher, E. Makeyev, D. Bamford and D. I. Stuart

 

2-Glycoprotein I, a protein and membrane-adhesion molecule in human plasma

P. Gros, B. Bouma, Ph. G. de Groot and J. Kroon

 

Structural studies of influenza virus neutralization by antibodies

M. Knossow, C. Barbey-Martin, B. Gigant, T. Bizebard and J. J. Skehel

 

Novel types of interactions of the small GTPase Ran with its effectors

I. R. Vetter, C. Nowak, T. Nishimoto, J. Kuhlmann, A. Arndt, U. Kutay, D. Görlich and A. Wittinghofer

 

Socialize your proteins and make them happy! - Coexpression as a tool to improve and study protein behaviour

C. Kambach

 

Molecular recognition in the action of protein kinases: the basis for affinity and specificity

M. Noble, S. Arold, N. Brown, I. Campbell, J. A. Endicott, J. Gruber, L. Johnson, J. Ladbury, J. Tucker and T. Ulmer

 

Structure of Human TRAIL and its complex with a receptor

M.-S. Kim

 

The BMP-2:BMP receptor IA complex: structural evidence for type I/type II receptor discrimination

T. Kirsch, J. Nickel, W. Sebald and M. Dreyer

 

Benefits of high quality data and how this can be achieved

C. Nave

 

Choices in Data collection and Processing

P. R. Evans

 

Global Indicators of X-ray Data Quality

M. S. Weiss and R. Hilgenfeld

 

Macromolecular Structure Determination by MAD and OAS

S. M. McSweeney

 

A direct comparison of data collections from current 'state of the art' difractometers

S. Coles, S. Parsons, M. Thornton-Pett and S. Teat

 

An Automated Structure Determination System Incorporating SHARP, ARP/wARP and BUSTER/TNT

E. Blanc, C. Vonrhein, P. Roversi and G. Bricogne

 

Phasing by Three-Beam Diffraction. Present State and Future Prospects

E. Weckert, R. Müller and J. Zellner

 

Density constraints and direct phasing

A. Urzhumtsev, V. Y. Lunin and N. Lunina

 

Determining the Structure of a Metalloproteinase at Atomic Resolution

K. E. McAuley, J.-X. Yao, E. J. Dodson, K. S. Wilson and M. M. Woolfson

 

Constraining and Restraining Parameters for Protein Phasing at Very Low Resolution

K. M. Andersson and C. J. Gilmore

 

Structural systematics in molecular inorganic chemistry

A. G. Orpen

 

Recognition of spatial motifs in protein structures

D. Madsen and G. J. Kleywegt

 

Predicting function from protein structure comparison

R. B. Russell

 

Systematics of Aromatic Hydrogen Bonds in Proteins

T. Steiner and G. Koellner

 

The method for comparing crystal structures by means of the graph theory

V. A. Blatov

 

Protein Crystals: Growth Dynamics, Impurity Incorporation and Imperfections

A. A. Chernov and B. R. Thomas

 

Nucleation of protein crystals: structures, dynamics, and control pathways

P. G. Vekilov, O. Galkin and S.-T. Yau

 

On the growth of macromolecular crystals in gels

J. M. García-Ruiz

 

The Crystallization of BPTI at acidic pH: a Decamer Story

C. Hamiaux, J. Pérez, T. Prangé, M. Riès-Kautt, S. Veesler and P. Vachette

 

Surface Processes and Growth Kinetics in the Crystallization of Virus and Protein Crystals

A. J. Malkin, Yu. G. Kuznetsov and A. McPherson

 

Hydrogen Bonding in the Last Quarter of the Century: New Methods, New Results, New Ideas

G. Gilli and Th. Steiner

 

Energetic properties of the hydrogen bond interaction: a straight representation in terms of the electron density distribution

E. Espinosa, E. Molins and C. Lecomte

 

The Attractive HH Interaction: A New Type of Hydrogen Bond

T. F. Koetzle

 

Interanionic O-H...O Interactions: the Charge Density Point of View

P. Macchi, B. B. Iversen, A. Sironi, B. C. Chakoumakos and F. K. Larsen

 

Structure and Properties of Alkyloxamides

K. Clou, B. Rousseau, H. O. Desseyn and A. T. H. Lenstra

 

Structure and Reactivity of Supramolecular Compounds: Mise en Scene

L. R. Nassimbeni and E. Weber

 

Effect of pressure on the intramolecular reactions in solid coordination compounds

E. V. Boldyreva

 

Dynamic Aspect of Lattice Inclusion Complexation Involving Phase Change

Y. Aoyama

 

A Study of Molecular Motions in a Cyclic Hexanuclear Nickel Thiolate by NMR and X-ray Diffraction Techniques

A. H. Mahmoudkhani and V. Langer

 

Reaction Pathways by Structure Correlation Methods: S_N1 Addition of Nucleophilic Ligands to Penta-coordinated V(IV) Oxo-Complexes

V. Ferretti, V. Bertolasi, P. Gilli and G. Gilli

 

Crystal Engineering of Metalloporphyrin Molecular Sieves and Zeolite Analogues

I. Goldberg

 

Crystal Engineering Low Symmetry Structures

P. D. Prince, G. S. McGrady and J. W. Steed

 

Weak interactions in oxazolidine derivatives

J. F. Gallagher

 

Crystal structures and intermolecular interactions in new fullerene derivatives

I. S. Neretin, K. D. Lyssenko and Yu. L. Slovokhotov

 

Structure of Copper(II), Cobalt(II) and Zinc(II) Complexes with o-Phthalic Acid

Yu. A. Simonov, M. Gdaniec, P. N. Bourosh, I. Filipova, N. V. Gerbeleu, S. G. Baca and G. A. Timco

 

Multistabilities, Metastabilities, Phase Transformations and Chemical Reactions in Molecular Solids - an overview

T. Luty

 

Solid state polymerization reactions leading to biomaterials

M. Epple, O. Herzberg, K. Schwarz and M. Siedler

 

Molecular Packing and Photoluminescence Efficiency in Thiophene-Based Oligomers

G. Barbarella, L. Favaretto, G. Sotgiu, M. Zambianchi, L. Antolini, E. Tedesco, G. Gigli and R. Cingolani

 

Methyl and ammonia rotation in molecular crystals

P. Schiebel

 

Investigation of molecular magnetism by high resolution X-ray diffraction: application to several organic and organometallic compounds

S. Pillet, M. Souhassou, C. Lecomte, Y. Pontillon, C. Mathonière, P. Rabu and C. Massobrio

 

Forces, Frustration and Fun - A View on the Dimensions of the Packing Problem

P. Erk

 

Achievements and challenges in molecular crystal structure prediction

F. J. J. Leusen and M. A. Neumann

 

Crystal Structure Predictions, and Their Use for Solving Crystal Structures from Powder Data

M. U. Schmidt, R. E. Dinnebier and H. Kalkhof

 

A Knowledge-Based Costfunction for Selection from Low-Energy Crystal Structures in Crystal Structure Prediction

J. P. M. Lommerse

 

Polymorph Prediction of Long-Chain Compounds

J. van de Streek and P. Verwer

 

New Aspects of Direct Space Structure Solution from Powder Diffraction Data

K. D. M. Harris, E. Tedesco, R. L. Johnston, G. W. Turner and B. M. Kariuki

 

Sructure solution from powder data with accidental overlap

J. Rius, X. Torrelles and C. Miravitlles

 

Potentialities of Grid Search Method

V. V. Chernyshev

 

Direct space method and high-resolution X-ray powder diffraction: a modern approach to pharmaceutical crystal structure determination

J. Giovannini, M.-A. Perrin, D. Louër and F. Leveiller

 

Monte Carlo techniques in EXPO

A. Altomare, M. C. Burla, C. Giacovazzo, A. Guagliardi, A. G. G. Moliterni, G. Polidori and R. Rizzi

 

Investigating Nanocrystalline Materials with Diffraction Line Profile Analysis

D. Louër

 

Investigation of mesoscale microstructures with diffraction techniques

P. Klimanek

 

Evidence from HRTEM Image Processing Analysis of Nanocrystalline Iron-Titanium Oxide Powders

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

 

Residual Stress Analysis of Thin Films

J.-D. Kamminga, M. Leoni, L. J. Seijbel, U. Welzel, P. Lamparter and E. J. Mittemeijer

 

Grazing excidence diffraction versus grazing incidence diffraction for strain/stress evaluation in thin films

A. Njah, T. Wieder and H. Fuess

 

On the correlation of optical constants with the crystal structure

R. X. Fischer and R. D. Shannon

 

Phase transitions in minerals: Correlation of spectroscopic and diffraction data

E. Libowitzky

 

Crystal-chemistry of the Si-P replacement in minerals

F. Brunet, C. Chopin, G. Chazot and R. Miletich

 

Harmonic and anharmonic aspects of the dynamics of silica polymorphs at extreme temperatures

E. Bourova, S. C. Parker and P. Richet

 

Pentaborates and hexaborates crystal chemistry on the base of OD-theory

E. L. Belokoneva, T. A. Korchemkina and O. V. Dimitrova

 

Ab Initio Simulations as a Tool in Mineral Crystallography

M. Catti

 

Atomistic modelling of the structure and reactivity of mineral surfaces

S. C. Parker, N. H. deLeeuw, D. J. Cooke and S. E. Redfern

 

First principles elasticity of major silicate and oxide phases of the lower mantle and geophysical implications

B. B. Karki

 

Electronic structure and electric field gradient calculations of Al₂SiO₅ polymorphs

P. Blaha, M. Iglesias, K. Schwarz and D. Baldomir

 

Simulating Phase Transitions and Thermoelasticity of Mantle Minerals

A. R. Oganov, J. P. Brodholt and G. D. Price

 

Crystal engineering of organic-inorganic materials for quadratic nonlinear optics

R. Masse

 

Photorefractivity of Sn₂P₂S₆

S. Odoulov, A. Shume-lyuk, S. Pavlyuk and D. Barilov

 

Micro-structured ferroelectrics for advanced optical applications

F. Laurell, V. Pasiskevicius, H. Karlsson, R. Clemens, J. Hellström and S. Wang

 

PSEUDO - a program for a pseudosymmetry search

E. Kroumova, M. I. Aroyo, J. M. Pérez-Mato, J. M. Igartua and S. Ivantchev

 

Computational simulations of novel a-site substituted perovskites

V. L. Jennings and P. A. Thomas

 

The crystallography of perovskites: past, present and future

P. G. Radaelli

 

Perovskites as ionic conductors

S. García-Martín, A. Morata, E. Morán and M. A. Alario-Franco

 

Structures and phase transitions of Elpasolite type perovskites - Any connections with relaxor compounds?

Ph. Sciau and M. Bonin

 

Evidence of Charge Transfer in YBa₂Fe₃O₈ from a Bond Valence Analysis of the Structure

I. Natali, A. Santoro and Q. Huang

 

Structure transformations in fluorinated complex copper oxides

A. M. Abakumov, M. G. Rozova, B. Ph. Pavlyuk, R. V. Shpanchenko, E. V. Antipov, J. Hadermann, O. I. Lebedev and G. Van Tendeloo

 

In-situ studies of hydrothermal synthesis of microporous materials

P. Norby

 

The Influence of Fluoride Ions on the Structure, Symmetry and Thermal Properties of Siliceous Zeolites

R. E. Morris

 

Structure Solution of the Highly Disordered Layer Silicate H-RUB-18

M. Borowski, H. Gies and B. Marler

 

Structures of the K⁺ and NH₄⁺ Forms of Linde J

R. W. Broach and R. M. Kirchner

 

Determination of preferential substitution sites in Fe-silicalite catalysts: a synchrotron radiation diffraction study

D. Viterbo, M. Milanesio, C. Lamberti, R. Aiello, F. Testa and G. L. Marra

 

Symmetry relations between twin domains and experimental methods of their determination

H. Klapper, Ch. Scherf, Th. Hahn, G. Heger and N. R. Ivanov

 

Anomalous structure states in real ferroic crystals

I. M. Shmytko

 

Twinning by syngonic, metric and selective merohedry, and their effect on the diffraction pattern

M. Nespolo and G. Ferraris

 

Tensor Calculus of Twinning

V. Kopský

 

Crystal growth and properties of K₃Nb₃B₂O₁₂ single crystals and their solid solutions

E. P. Kharitonova, V. I. Voronkova and V. K. Yanovskii

 

Structural aspects of low-dimensional magnetic and electronic crystals

S. van Smaalen and J. Lüdecke

 

The field induced soliton lattice in CuGeO

H. M. Rønnow, M. Enderle, D. F. McMorrow and L.-P. Regnault

 

X-ray diffraction studies on charge-density-wave deformation by carrier injection in the quasi-one-dimensional compound NbSe₃

H. Requardt, F. Ya. Nad, D. Rideau, P. Monceau, R. Currat, J. E. Lorenzo, D. Smilgies and G. Grübel

 

Anomalous diffraction study of quasi-1D compound (TaSe₄)₂I

V. Favre-Nicolin, S. Bos, E. Lorenzo, J.-F. Berar, J.-L. Hodeau and R. Currat

 

Structure-conductivity correlations in monoclinic bronze phases H_xMoO₃

S. Adams

 

Strain and Residual Stress Analysis on Technical Components using X-rays, Synchrotron X-Rays and Neutrons

A. Pyzalla

 

Ceramic Compounds obtained from Common Minerals

X. Turrillas

 

Tricalcium Silicate Ca₃SiO₅: the major compound of anhydrous Portland cement revisited

M. N. de Noirfontaine, M. Courtial, F. Dunstetter, G. Gasecki and M. Signes Frehel

 

Polymorphs of paracetamol - theoretical investigations on an over-the-counter drug

T. Beyer and S. L. Price

 

Low-dimensional conducting forms of carbon

L. Forró

 

Structural modification of fullerenes and carbon nanotubes by high pressure treatment

B. Sundqvist

 

Structural characterization of carbon nanotubes

Ph. Lambin

 

Crystal structure and properties of a sodium peroxide based graphite intercalation compound

C. Hérold, A. Hérold and P. Lagrange

 

Single-crystal study of the polymer layer stacking in the high-pressure two-dimensional C₆₀ polymers

R. Moret, P. Launois, T. Wågberg and B. Sundqvist

 

Current Trends in Surface Crystallography

R. Feidenhans`l

 

The transition from a metal to an oxide surface on atomic scale

H. Over, Y. D. Kim, S. Wendt, E. Lundgren, M. Schmid, P. Varga, M. Wiklund, J. N. Andersen, A. P. Seitsonen and G. Ertl

 

Real-time in situ study of the morphology of growing metal/oxide interfaces by small-angle grazing incidence synchrotron X-ray scattering

G. Renaud, A. Barbier, M. Noblet, Y. Borenstzein, R. Lazzari, J. Jupille and C. R. Henry

 

Surface magnetization of single-crystal FeNi₃

V. N. Petrov, M. S. Galaktionov, K. N. Komlev, F. Schedin and G. Thornton

 

Unusual multilayer Al₃Li(100) surface alloy

A. Mikkelsen, J. H. Petersen and D. L. Adams

 

From 2D to 3D oxides: Layered Double Hydroxides

V. Rives

 

Potential of industrial development of products based on high temperature superconducting materials

M. Decroux and L. Antognazza

 

The lithium layered oxides: from an intercalation reaction to a lithium-ion battery

C. Delmas

 

Crystal packing of intercalated layered structures

P. Capková and H. Schenk

 

Structural and thermal properties of carboxylates protecting metals against aqueous corrosion

F. Lacouture, J. Peultier, M. François and J. Steinmetz

 

Diffuse scattering in quasicrystals

M. de Boissieu, A. Létoublon and M. Boudard

 

Diffuse Scattering Studies at Beamline F1, HASYLAB/DESY: Recent Developments and Applications

C. Paulmann and U. Bismayer

 

Modulations and Disorder in a Perhydrotriphenylene Inclusion Compound

Th. Weber and H. B. Bürgi

 

Diffuse X-ray Scattering and Strain Effects in Disordered Crystals

T. R. Welberry

 

Diffuse scattering of the plastic phase of solid Oxygen: from experiments to molecular dynamics

O. B. M. Hardouin Duparc, F. Dunstetter, C. Clément and O. Condat

 

Teaching Crystallography to Reluctant Physicists

A. M. Glazer

 

Electron Crystallography - Teaching and Imagination

U. Kolb

 

Integrating biocrystallography into traditional biology and chemistry curricula

M. Jaskolski

 

Training in Laboratories as a Part of Teaching Crystal Growth for Students-Crystallographers

N. I. Leonyuk

 

X-ray Diffraction Analysis: From High School Through Graduate School: A Powerful Tool for Understanding Molecular Structure and Bonding

A. D. Hunter and S. J. DiMuzio

 

Invariants of Automorphisms of the d-Dimensional Tori as a Criterion of Commensurability and Incommensurability of Crystal Structures

J. Warczewski and P. Gusin

 

Magnetic Modulated Structures in Terms of the Language of the Fibre Bundles

P. Gusin and J. Warczewski

 

Quininium (R)-mandelate, an incommensurately modulated structure in superspace

A. Schönleber and G. Chapuis

 

The crystal structure of the tetragonal approximant Mn₃Ga₅

M. Boström

 

Analysis of the Weissenberg diffraction images from Bi2212, using Fuji imaging plate and Synchrotron X-ray

T. J. Lee, T. S. Khor, W. Chen, L. Yang, Z. H. Wan and H. F. Fang

 

Ab initio study of incommensurately modulated crystals

R. Caracas and X. Gonze

 

The incommensurate modulated structure of Sr_14-xCa_xCu₂₄O₄₁ as a function of temperature and composition

C. Bougerol-Chaillout, P. Bordet, J. F. Bérar, C. Darie and S. Pachot

 

A multidisciplinary approach to the structures and properties of some chalcogenide misfit layered compounds

W. Depmeier

 

Structure of the octane+urea inclusion compound at 293  K

I. Peral, G. Madariaga and T. Breczewski

 

Average Lattices of The Quasicrystalline Structures

I. V. Lebedyuk

 

LiB_x - An Incommensurate Composite Structure at Low Temperatures

M. Wörle, R. Nesper and T. Chatterji

 

New incommensurate misfit layer oxides in the system (Bi, Ca, Co, O)

S. Lambert, H. Leligny and D. Grebille

 

Crystal structure of [Li(L-proH)(H₂O)]Cl - a high resolution study

M. Lutz and A. L. Spek

 

Changes in structure and electron distribution between the high and low temperature phase of V₆O₁₃

J. Höwing, T. Gustafsson and J. O. Thomas

 

Xylitol and Ribitol: Integrated properties of the charge density

A. Ø. Madsen and S. Larsen

 

High-resolution charge density studies of the amino acids DL-lysine.HCl, DL-serine and DL-valine

R. Flaig, T. Koritsanszky and P. Luger

 

Experimental Charge Density of a Trinuclear Mixed-Valence Iron Compound

J. Overgaard, B. B. Iversen, F. K. Larsen, S. P. Palii, G. A. Timco and G. Wu

 

Topological Analysis of Experimental Charge Densities of Organometallic Carbene Complexes

M. A. Tafipolsky, W. Scherer, K. Öfele and F. J. Kohl

 

Investigation of low-temperature superstructure and electron density of a'-NaV₂O₅

S. Geupel, J. Luedecke and S. van Smaalen

 

Preliminary Results for a Charge Density Study of Estrone

D. Parrish, N. Wu, E. Zhurova and A. A. Pinkerton

 

Influence of Cation on Molecular and Electronic Structures of Meisenheimer Complexes. Theoretical Topological Analysis of Electron Density Function

O. Ya. Borbulevych, M. Yu. Antipin and O. V. Shishkin

 

Topological analysis on intermolecular interaction of two ferromagnetic organic radical molecules

J.-J. Lee and Y. Wang

 

Experimental Charge Density Studies of Polydentate Diazine Ligands

C. Wilson, S. Dahaoui, D. S. Yufit, J. A. K. Howard and L. K. Thompson

 

LAPW Study of the Existence of Non Nuclear Maxima in the Electron Density

G. K. H. Madsen, P. Blaha, K. Schwarz, O. Sofo and C. Gatti

 

Fluorine the difficult atom in charge density analysis

H. O. Sørensen and S. Larsen

 

Ferrimagnetic Ordering in a 'Ferromagnetic' Molecular Magnet

J. A. Stride, B. Gillon, A. Gukasov, J. Larionova and O. Kahn

 

Contribution to the charge density studies of Cuⁱⁱ-complexes. (II)

J. Kozisek, H. Fuess and N. K. Hansen

 

Comparison of the Charge Density Distribution in Compounds Containing Elements of Group 15 and 16

D. Leusser and D. Stalke

 

Determination of atomic domains and coordinations from a procrystal electron density calculation

T. Balic-Zunic

 

Topological Analysis of the Electron Density Distribution of Two Nickel Complex

I.-J. Hsu, C.-C. Wang and Y. Wang

 

Charge density and electrostatic potentials in Na₁₀(N₃H₃V₁₈O₄₄): a joint X-ray diffraction and ab initio-MO study

M.-M. Rohmer, M. Bénard and V. Pichon

 

Diffraction Studies of the Experimental Charge Density in 1,2-dihydro-1-methyl-2- nitriminopyridine at 90  K

J. Zaleski

 

Topological properties of the electron density distribution in amino-acid phosphates

W. Maniukiewicz, E. Molins and R. H. Blessing

 

Electron density analysis of L-histidinium dihydrogen orthophosphate orthophosphoric acid from X-ray and neutron diffraction data

I. Mata, E. Espinosa, W. Maniuckiewicz, E. Molins, S. Veintemillas, A. Cousson, W. Paulus and C. Lecomte

 

Electron Density Distribution in CaNi₂Si₂ using Synchrotron X-ray Diffraction and First Principles Calculations

N. K. Hansen, G. Gavoille, R. Welter, B. Malaman, P. Herzig and H.-G. Krane

 

3D magnetic interactions in copper hydroxinitrate: contribution of accurate electron density study

S. Pillet, M. Souhassou, C. Lecomte, P. Rabu and C. Massobrio

 

Can we observe the position of protons from high resolution X-ray diffraction in the oxovanadate Na₁₀[N₃H₃V₁₈O₄₄], 30H₂O?

N. Claiser, V. Pichon-Pesme, C. Lecomte, M.-M. Rohmer, M. Bénard and T. B. Pedersen

 

Electrostatic properties of zeolites from charge density modelling: Success after pitfalls?

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

 

Development of Vacuum Camera Imaging Plate method (VCIP) for the measurements of Electron density distribution in metal complexes

K. Tanaka, S. Takagi, Y. Takenaka and V. V. Zhurov

 

Atomic properties from experimental electron densities: Program Newprop-int

M. Souhassou

 

MarchingCubeELD - electron density visualization program for small molecules and its application on cyclosporins structures investigation

M. Husák and J. Cejka

 

Comparing Polymorphs of Crystal Structures of Small Organic Molecules

J. P. M. Lommerse

 

Bond-valence models for correlations between structure and conductivity of solid electrolytes

St. Adams and J. Swenson

 

General formalism for phase combination and phase refinement: Mean-Field optimization and Simulated Annealing in reciprocal space

M. Delarue

 

CALCRYS, a new program in the Tcl/tk based crystallographic package

L. Urzhumtseva and A. Urzhumtsev

 

Ab initio DFT Calculations on NAD⁺ and NADP⁺

N. Muzet, B. Guillot, C. Jelsch and C. Lecomte

 

Multipolar refinement of aldose reductase at subatomic resolution

B. Guillot, C. Jelsch, N. Muzet, C. Lecomte, E. Howard, B. Chevrier, A. Mitschler, A. Podjarny, A. Cousson, R. Sanishvili and A. Joachimiak

 

Determination of twinned structure of copper(II) complex with protonated 6-(3-chlorobenzylamino)purine (H⁺L), [Cu(H⁺L)₂Cl₃]Cl.2.5H₂O, by KM4-CCD diffractometer

Z. Trávnícek, J. Marek and M. Malon

 

Predictive abilities of bond valence method: experimental study by neutron diffraction

M. Yu. Avdeev

 

Maximal Likelihood refinement. It works, but why?

V. Y. Lunin and A. G. Urzhumtsev

 

Use of collective variables to model anisotropic displacements; implementation in the macromolecular refinement program REFMAC

M. D. Winn, M. Isupov and G. N. Murshudov

 

Refinement of proteins at subatomic resolution

C. Jelsch, B. Guillot, R. Guillot, C. Lecomte and L. Viry

 

Influence of ultrasonic vibrations on X-ray fluorescence under dynamical diffraction conditions

S. A. Grigoryan, M. V. Kovalchuk and V. L. Nosik

 

Polarization Suppression of X-ray Umweg Multiple Waves in Crystals

Y. P. Stetsko, H. J. Juretschke, Y.-S. Huang, C.-H. Chao, Y.-R. Lee, C.-K. Chen, C.-Y. Hung, J.-H. Chin, G.-Y. Lin, Z.-C. Lin and S.-L. Chang

 

The factors of polarization transformation of X-ray scattering in Laue-case for dislocation crystals

N. M. Olekhnovich and A. V. Pushkarev

 

Femto-second pulsed Radiation: Comparison between X-ray and electron scattering

P. Daniels, J. Hajdu, R. Neutze, D. van der Spoel, E. Weckert and A. Zuev

 

Standing wave formed close to rectangular surface grating by the grazing-angle incidence X-rays

P. A. Bezirganyan Jr, A. P. Bezirganyan, S. E. Bezirganyan and H. A. Bezirganyan Jr

 

High brightness X-ray sources - implementation and benefits

M. Taylor, G. Fraser, N. Loxley, J. Wall, L. Pina, R. Hudec and A. Inneman

 

Significant improvement in contrast and information value of images of defects in crystals

A. A. Zholudev, V. N. Trushin, Y. V. Chuprunov and A. F. Khokhlov

 

X-ray dynamical diffraction: the concept of locally plane wave

Y. Epelboin and V. Mocella

 

Orientation relationships of hematite layers on ceramic substrates investigated by TEM

J. Dehn, V. Buschmann, P. Reynders and H. Fuess

 

Identification of forbidden reflections from microdiffraction, CBED and LACBED patterns

J. P. Morniroli

 

Crystal structure of Ti₄₅Se₁₆ Redetermined from Electron Diffraction Data

T. E. Weirich

 

Electronic Structure CBN / C, Al, Mg, Si - Systems

V. V. Ilyasov

 

The Electron Crystallography Forum - A new Corner for Electron Crystallographers at the Web

T. E. Weirich, K. Gjønnes, J. Jansen and U. Kolb

 

Study of morphology of crystals of synthetic mullite

E. G. Iarotskaia, E. V. Polianski and I. P. Hadgy

 

Structural investigation of MOCVD grown GaSb islands by TEM

H. Kirmse, W. Neumann, L. Müller-Kirsch, U. W. Pohl and D. Bimberg

 

Nanostructured thin metallic films in the Renaissance Italian pottery

I. Borgia, B. Brunetti, I. Mariani, M. Mellini, A. Sgamellotti and C. Viti

 

Refining Crystal Structures from Electron Diffraction Data

A. Stewart and C. J. Gilmore

 

The Pressure Effect of the Bulk Modulus Seen by the Charge Density in InX Compounds

Y. Al-Douri and H. Aourag

 

Modern High-Pressure Measurements with a CCD Detector System

L. Häming, M. Ruf and E. Hovestreydt

 

Structural high-pressure evolution of the tetragonal low-pressure polymorph of Mn₃O₄

R. Miletich and R. J. Angel

 

Mercury halides under pressure, phase diagrams full of surprises

M. Hostettler, D. Schwarzenbach, M. Bonin and H.-P. Weber

 

Under Pressure: Hydroxylamine

P. A. McGregor, D. R. Allan, D. J. Francis, W. G. Marshall, S. Parsons and C. R. Pulham

 

Crystal structure of the triclinic high-pressure polymorph of CaSnOSiO₄ malayaite

St. Rath and M. Kunz

 

Modelling the crystal packing and conformation of [??^III(NH₃)₅NO₂]²⁺2Cl^- in a range of pressures

A. V. Dzyabchenko and E. V. Boldyreva

 

Influence of temperature and pressure on anion ordering in the crystal structures of low dimensional organic conductors

D. Chasseau, D. Le Pevelen, Y. Barrans, L. Ducasse, J. M. Fabre, P. Guionneau and J. Gaultier

 

X-ray Diffraction and Theoretical Studies of the High-Pressure Behavior of Magnesium Fluoride

J. Haines, J. M. Léger, F. Gorelli, D. D. Klug, J. S. Tse and Z. Q. Li

 

Features of Zr-Nb alloys structure loaded by spherical converging stress waves

N. I. Taluts, A. V. Dobromyslov and E. A. Kozlov

 

Equation of state and phase diagram of KNbO₃ up to 30  GPa and from 100 to 500  K. A powder X-ray diffraction study

Ph. Pruzan, D. Gourdain, J. C. Chervin, B. Canny and M. Hanfland

 

Synchrotron data collection of 0.66  Å data for Aldose Reductase, an enzyme of MW = 36  Kdaltons

A. Mitschler, R. Sanishvili, A. Joachimiak, E. Howard, P. Barth, V. Lamour, M. Van Zandt, E. Sibley, D. Moras and A. Podjarny

 

Wavelength-Modulated Diffraction

H. Iwasaki, T. Koganezawa, Y. Yoshimura and N. Nakamura

 

Structural Studies by the Debye-Scherrer Camera installed at BL02B2, Spring-8

E. Nishibori, M. Takata, K. Kato, Y. Kubota, Aoyagi, Y. Kuroiwa, S. Ikeda and M. Sakata

 

A cryo-bench for trapping reaction intermediates in protein crystals

T. Ursby, X. Vernede, P. Charrault, B. Gorges and D. Bourgeois

 

Temperature Controlled Humidity Chamber for X-ray Diffraction Analysis

D. Beckers, P. Doppler, B. Koppelhuber and G. J. Reiß

 

A SMART move. The Bruker AXS integrated system for protein data collection

T. Wagner, S. Foundling and C. Bauer

 

X-ray diffraction between 4  K and 300  K on a four circle diffractometer equipped with a 2D detector

R. Argoud, P. Fertey, P. Bordet and J. Reymann

 

A New "Open Source" Control-Program for Single Crystal Diffractometry

J. Kopf

 

New Control Software for the KM6 Six-Circle Kappa Goniometer

M. Meyer, A. Kowalski, D. Kucharczyk, W. A. Paciorek and G. Chapuis

 

Comparison of optical elements for X-ray powder diffraction analysis in para-focusing and parallel beam geometries

C. A. Reiss

 

Strategies for Data Collection on a CCD Diffractometer

S. Rühl, M. Bolte and E. Egert

 

The future powder diffraction station at the swiss synchrotron facility (SLS)

F. Fauth, B. Patterson, B. Schmitt and J. Welte

 

Instrumentation for X-ray diffraction from crystals under electric fields

P. Allé, R. Guillot, P. Fertey, N. K. Hansen and E. Elkaïm

 

Retinal polarization sensor

A. M. Benoit, V. Louis and P. Alle

 

Automatic Weissenberg Data Collection System for Time-Resolved Protein Crystallography

N. Sakabe, K. Sakabe, T. Higashi, N. Igarashi, M. Suzuk, N. Watanabe and K. Sasaki

 

A new Pixel Detector for X-ray Diffraction

J. F. Berar, B. Caillot, C. Mouget, L. Blanquart, J. C. Clemens and P. Delpierre

 

X-ray diffraction study of thin film elastic properties in relation with their microstructure

P. Goudeau, P. O. Renault, P. Villain and K. F. Badawi

 

The effect of nanostucture on the mechanical properties of high strength low alloy steel (HSLA steel)

M. S. Shalaby

 

Web based software for instrumentation control and data analysis: an application on a single-crystal four circle diffractometer

A. Pifferi, G. Berdini, M. Buzzi, M. Camalli, M. Catricalà, C. Gramaccioni, P. Lazzareschi and R. Spagna

 

Vapor transport of organic thin films in microgravity and unit gravity

M. Ittu Zugrav, W. E. Carswell, G. B. Haulenbeek and F. C. Wessling

 

Automated crystallization of polar biomolecules in the metastable regime using microfluidic silicon devices and a variable temperature incubator

R. E. Cachau, J. R. Casas-Finet and A. Sanjoh

 

Development of a Crystallization Screen for Organic Compounds

C. Keats, K. Prout, D. Watkin, G. Tranter and R. W. Lancaster

 

Effects of Equilibration Control on Protein Crystallization

T. L. Bray and L. J. DeLucas

 

Improving crystal quality with a simple new technique for optimization

E. Saridakis and N. E. Chayen

 

Growth of Aventurine Crystals

I. B. Makhina, A. A. Mar'in and V. Khadzhi

 

Some Less Usual Ways to Grow Crystals

A. J. Blake, D.-L. Long and A. C. Marr

 

Microgravity protein crystal growth: a case of a collagen-like polypeptide

A. Zagari, R. Berisio, G. Sorrentino, L. Vitagliano, L. Carotenuto, C. Piccolo and L. Mazzarella

 

Investigations into the use of Dispersive-Mode Anomalous Scattering in Macromolecular Crystallography

W. Shepard, V. Favre-Nicolin, M.-L. Chesne, C. Abergel, S. Bos, L. Chantalat, R. Kahn, E. Lorenzo, F. Natali, T. Neisius, S. Pascarelli, J. Vicat and J.-L. Hodeau

 

MAD phasing at long wavelengths

J. Hauschild, G. P. Bourenkov and H. D. Bartunik

 

Structural characterization of a photoactivable caged hydroxide

A. Bacchi, D. Rogolino, P. Pelagatti, C. Viappiani and S. Abbruzzetti

 

Application of D.A.N.E.S. studies to highly Absorbing Powdered Samples

S. Bos, H. Renevier, Y. Joly, V. Favre-Nicolin, E. Lorenzo, J. F. Berar, J. L. Hodeau, V. Cajipe, P. Leone, C. Gueho and G. Vaughan

 

Determination of Resonant Atomic Scattering Factors and observation of DAFS in the Soft X-ray Range using Bragg Diffraction from Multilayers

H. Grimmer, U. Staub, O. Zaharko and H.-Ch. Mertins

 

Complementarity of Ultra-High Resolution SR X-ray and Neutron Protein Crystallography

J. R. Helliwell

 

Small-Angle Neutron Scattering and Mossbauer Effect in Austenitic N- and C-containing steels

V. M. Nadutov and V. M. Garamus

 

Mechanical behaviour of hard -keratin fibre nano-structure explored by X-ray diffraction

L. Kreplak, F. Briki and J. Doucet

 

Investigations on the radiation damage in organic compounds

R. Müller, M. Drakopoulos, S. Ginder, E. Weckert and J. Zellner

 

The Micro-SAXS Facility at ESRF Beamline ID22 - Monitoring the Process of Bone Growth in Model Biological Systems

M. Drakopoulos, T. J. Wess, A. P. Hammersley, A. Snigirev, I. Snigireva and P. M. Hocking

 

Crystal structure of methylmalonyl-CoA epimerase: a novel enzymatic function on an ancient metal-binding scaffold

A. A. McCarthy, H. M. Baker, S. C. Shewry, M. L. Patchett and E. N. Baker

 

Structural basis of sialyl-transferase activity in trypanosomal sialidases

A. Buschiazzo, M. F. Amaya and P. Alzari

 

Phosphorylation or oxydation level of the phosphate acceptor nucleotide modifies crystal structure of E. coli CMP kinase: correlation with kinetics and site-directed mutagenesis

T. Bertrand, A. M. Gilles and P. Briozzo

 

Crystallographic studies of gluconate kinase

L. Kraft, G. Schneider and Y. Lindqvist

 

Structure and mechanism of pteridine reductase 1 from Leishmania

A. Schüttelkopf, D. G. Gourley and W. N. Hunter

 

Crystal structure of an 'half-and-half' three-fingers chimeric protein

M. H. le Du, A. Ricciardi, M. Khayati, R. Ménez, J. C. Boulain, A. Ménez and F. Ducancel

 

Systematic 3D-structure determination of enzymes involved in the plant phenylpropanoid pathway

J.-L. Ferrer, J. M. Jez, C. Zubieta, M. E. Bowman and J. P. Noel

 

Crystallographic Studies of Thioredoxins from Bacillus acidocaldarius

V. Menchise, S. Galdiero, G. De Simone, S. Bartolucci, M. Rossi, C. Pedone and M. Saviano

 

Crystal Structure of Phospholipase D from Streptomyces antibioticus

A. Suzuki, K. Kakuno, R. Satio, Y. Iwasaki, T. Yamane and T. Yamane

 

-Glucosyltranferase: Substrate Binding and metal site

L. Larivière, W. Rüger, P. Freemont and S. Moréra

 

The structure of SAICAR synthase-substrate complexes at 1  Å resolution

S. V. Antonyuk, V. M. Levdikov, V. V. Barynin, A. I. Grebenko, D. V. Urusova, A. N. Popov, W. R. Melik-Adamyan and V. S. Lamzin

 

Threonine synthase from Arabidopsis thaliana: 2.2  Å resolution structure and reaction proposal

K. Thomazeau, R. Dumas, G. Curien and V. Biou

 

Structural analysis of the allosteric transition of Pseudomonas putida catabolic ornithine carbamoyltransferase

B. Clantin, G. Sainz, C. Tricot, V. Stalon and V. Villeret

 

High-resolution Structure of the Phosphohistidine-containing and Vanadate-inhibited Forms of E. coli Cofactor-dependent Phosphoglycerate Mutase

C. S. Bond, M. F. White and W. N. Hunter

 

Structural analysis of substrate binding by the glucan synthesizing enzyme amylosucrase

O. Mirza, L. K. Skov, A. Henriksen, G. Potocki De Montalk, R. M. Willemot, M. Remaud-Simeon, P. Sarcabal, P. Monsan and M. Gajhede

 

Crystal structure of glucosamine-6 phosphate N-acetyltransferase 1: a novel member of the GNAT superfamily

C. Peneff, D. Mengin-Lecreulx and Y. Bourne

 

Structural studies of HPr-kinases /phosphatases

S. Fieulaine, A. Galinier, S. Poncet, J. Deutscher and S. Nessler

 

Crystallographic study of the maize cytokinin gluco-side-specific -glucosidase Zm-p60.1

J. Marek, J. Vévodová, X.-D. Su, J. Zouhar and B. Brzobohatý

 

Snapshots of Enzyme Activation

R. Bott, G. Ganshaw, M. Soltis, P. Kuhn and M. Knapp

 

How to degrade sulfated galactans: the structure of - and -carrageenases

G. Michel, L. Chantalat, E. Fanchon, D. Flament, T. Barbeyron, T. Vernet, B. Henrissat, B. Kloareg and O. Dideberg

 

Crystal structure of the haloalkane dehalogenase from Sphingomonas paucimobilis UT26

J. Marek, J. Vévodová, I. Kutá-Smatanová, Y. Nagata, L. A. Svensson, J. Newman, M. Takagi and J. Damborsky

 

Crystal structure of aldehyde reductase from Sporobolomyces salmonicolor

A. Kita, M. Kataoka, K. Tanimizu, H. Kawabata, S. Shimizu and K. Miki

 

Status Report of the Structure Determination of Baker's Yeast 12S Phosphofructokinase1 R-State

I. Mechin, G. Kopperschläger and W. R. Rypniewskia

 

Structural studies of the NDP kinase/antiviral nucleotide analogues interaction

P. Meyer, B. Schneider, S. Sarfati, D. Deville-Bonne, M. Veron, B. Canard and J. Janin

 

Structural characterization of ActVA-orf6, a monooxygenase involved in the biosynthesis of polyketide actinorhodin

A. E. Miele, G. Sciara, S. G. Kendrew, B. Vallone and A. Boffi

 

Crystal structures of the cellulase Cel48F in complex with inhibitors and substrates give insights into the mechanism of processive cellulases

G. Parsiegla, C. Tardif, C. Reverbel-Leroy, H. Driguez and R. Haser

 

New insights in the thermolysin crystallogenesis and inhibition

J.-F. Gaucher, M. Selkti, H. Chen, B. Roques, T. Prangé and A. Tomas

 

Structural studies of inhibiting mechanism E. coli inorganic pyrophosphatase by calcium ions

V. R. Samygina, A. N. Popov, V. S. Lamzin, N. N. Vorobeva, S. A. Kurilova, T. I. Nazarova and S. M. Avaeva

 

Crystal Structure of Pseudomonas fluorescens 4-hydroxyphenyl-pyruvate dioxygenase involved in the degrading pathway of tyrosine

L. Serre, A. Sailland, D. Sy, P. Boudec, A. Rolland, E. Pebay-Peyroula and C. Cohen-Addad

 

The structure and function of a proficient enzyme: orotidine 5'-monophosphate decarboxylase

S. Larsen, P. Harris, J. C. Navarro-Poulsen and K. F. Jensen

 

Channeling of ammonia in glucosamine-6P synthase

A. Teplyakov, G. Obmolova, M.-A. Badet-Denisot and B. Badet

 

Structure-function relationship in serralysins, probed by site-directed mutagenesis and X-ray crystallography

T. Hege and U. Baumann

 

Crystallographic study of recombinant TMPK from Mycobacterium tuberculosis, with substrates and inhibitors

I. Li de la Sierra, H. Munier-Lehmann, A. M. Gilles, O. Bârzu and M. Delarue

 

Cellobiohydrolases and processivity

A. Varrot, S. J. Charnock, M. Schülein, H. Driguez and G. J. Davies

 

Temperature-controlled crystallographic experiments on acetylcholinesterase

M. Weik, P. Gros, J. Kroon, T. Ursby, D. Bourgeois, R. Ravelli, S. McSweeney, L. Peng, A. Specht, M. Goeldner, G. Kryger, I. Silman and J. Sussman

 

Crystal Structure of Nitrite Reductase from Rhodobacter sphaeroides

H. Guo, K. Olesen, Y. Xue and L. Sjölin

 

The Crystal Structure of a Strepmyces sp.Cel12A

A. Shaw, L. Gross, C. Mitchinson and R. Bott

 

Neutron-Laue and Atomic Resolution X-ray Analysis of the Aspartic Proteinase Endothiapepsin

L. Coates, P. T. Erskine, J. B. Cooper and D. Myles

 

The Structure of Serotonin N-Acetyltransferase: Illustrating Catalysis by the GCN5-Related N-Acetyltransferase (GNAT) Enzyme Superfamily

F. Dyda, M. A. A. Namboodiri, D. C. Klein and A. B. Hickman

 

The Structure of 5-Aminolaevulinate Dehydratase (ALAD)

P. T. Erskine, P. M. Shoolingin-Jordan, S. P. Wood, J. B. Cooper and M. J. Warren

 

De Novo Design and Protein X-ray Analysis of a Protein Kinase Inhibitor

P. Furet, T. Meyer, A. Strauss, S. Raccuglia and J.-M. Rondeau

 

Dihydroorotate dehydrogenases

S. Nørager, O. Björnberg, K. F. Jensen and S. Larsen

 

Structural studies of chitinase A from S. marcescens complexed with substrates and the inhibitor allosamidin

Y. Papanikolau, G. Prag, G. Tavlas, M. Papadovasilaki, S. Dimitriou, C. E. Vorgias, A. B. Oppenheim and K. Petratos

 

The type II Dehydroquinate dehydratase from Bacillus subtilis - an intriguing innactive enzyme

D. A. Robinson, A. W. Roszak, J. R. Coggins and A. J. Lapthorn

 

Crystal structures of Wild-Type and D30A thioredoxin h from Chlamydomonas reinhardtii enlighten the role of water molecule in catalysis

V. Menchise, C. Corbier, C. Didierjean, M. Saviano, E. Benedetti, J.-P. Jacquot and A. Aubry

 

Crystal structure of the NAD-dependent erythrose-4-phosphate dehydrogenase from Escherichia coli

B. Kauffmann, D. Cobessi, S. Boschi-Muller, S. Azza, G. Branlant and A. Aubry

 

The X-ray structure of the ternary complex GAPDH/NAD/G3P enlightens the role of two anion binding sites during the catalysis

M. Fatih, C. Didierjean, C. Corbier, S. Boschi-Muller, G. Branlant and A. Aubry

 

Cellular detoxification: crystal structure of a repair enzyme from Escherichia coli at 1.9  Å resolution

F. Tête-Favier, D. Cobessi, S. Boschi-Muller, S. Azza, G. Branlant and A. Aubry

 

Crystallographic and biochemical investigations of the catalytic mechanism of an NADP-dependent aldehyde dehydrogenase from Streptococcus mutans

D. Cobessi, F. Tête-Favier, S. Marchal, G. Branlant and A. Aubry

 

The structure of heterodimeric imidazole glycerole phosphate synthase (tHisH/tHisF) reveals an substrate transfer channel through a (/)₈ barrel

M. Walker, S. Beismann-Driemeyer, R. Sterner and M. Wilmanns

 

Reversible domain motions induced by substrate binding in ribonuclease A

A. Zagari, R. Berisio, A. Merlino, F. Sica, L. Vitagliano and L. Mazzarella

 

Implication of Tubby Proteins as Transcription Factors by Structure-Based Functional Analysis

T. J. Boggon, W. S. Shan, S. Santagata, S. C. Myers and L. Shapiro

 

Thiostrepton

M. P. Shaw, C. S. Bond, M. S. Alphey and W. N. Hunter

 

Portrait of a membrane protein in action: bacterio-rhodopsin pumping protons

K. Edman, P. Nollert, A. Royant, H. Belrhali, E. Pebay-Peyroula, T. Ursby, J. Hajdu, R. Neutze and E. M. Landau

 

Novel Ion Coordination in Gramicidin, a Membrane Channel

W. L. Duax, B. Burkhart, V. Pletnev, N. Li and W. Pangborn

 

Over-production, purification and preliminary X-ray crystallographic analysis of GlcV, the ATP-binding cassette of the glucose ABC transport system from Sulfolobus solfataricus

G. Verdon, S. V. Albers, B. W. Dijkstra, A. J. M. Driessen and A.-M. W. H. Thunnissen

 

Structural evidence for ligand specificity in the binding domain of the human Androgen receptor

P. M. Matias, R. Coelho, M. Thomaz, C. Peixoto, S. Macedo and M. A. Carrondo

 

Crystal Structure of the First Three Domains of the Type-1 Insulin-like Growth Factor Receptor

T. P. J. Garrett, N. M. McKern, M. Lou, M. J. Frenkel, J. D. Bentley, G. O. Lovrecz, T. C. Elleman, L. J. Cosgrove and C. W. Ward

 

The 22  kDa endo-specific membrane-bound lytic transglycosylase EmtA

F. I. Gliubich, A. M. W. H. Thunnissen and B. W. Dijkstra

 

An unusual carbohydrate binding site revealed by the structures of two Maackia amurensis lectins complexed with sialic acid-containing oligosaccharides

J. Lescar, A. Imberty, C. Gautier, R. Loris, L. Wyns and S. Perez

 

Structural studies of the purple bacterial photosynthetic reaction centre

P. K. Fyfe, J. P. Ridge, K. E. McAuley, A. W. Roszak, R. J. Cogdell, N. W. Isaacs and M. R. Jones

 

Recognition of Haem by Proteins. Insight from Structural Data Bases (CSD and PDB) Analysis

L. Tchertanov

 

Crystal structure of -cinnamomin, a protein elicitor produced by a phytopathogenic fungus

M. Archer, M. L. Rodrigues, M. Aurélio, A. Cravador and M. A. Carrondo

 

The Crystallization and structure analysis of the dI Component of Transhydrogenase, a Proton-Translocating Membrane Protein

P. A. Buckley, J. B. Jackson, D. W. Rice, S. E. Sedelnikova, J. Burke, T. Shneider, M. Roth and P. J. Baker

 

Structure of a legume lectin from the bark of Robinia pseudoacacia

A. Rabijns, C. Verboven, E. J. M. Van Damme, W. J. Peumans and C. J. De Ranter

 

Structural Studies on the Proteins of Myelin

D. J. B. Hunter, D. Kirkham, I. R. Griffiths and A. A. Freer

 

X-ray structure of the catalytic domain of human complement protease C1s: a trypsin-like domain modulated by a CCP module handle

C. Gaboriaud, V. Rossi, I. Bally, G. Arlaud and J. C. Fontecilla

 

Towards an atomic structure of intermediate filaments

S. V. Strelkov, H. Herrmann, N. Geisler, R. Zimbelmann, A. Lustig, U. Aebi and P. Burkhard

 

The crystal structure of the Clostridium thermocellum CelS, the major enzymatic component of the cellulosome

B. G. Guimarães, H. Souchon, J. H. D. Wu and P. M. Alzari

 

Crystal structures of DNAs damaged by methoxylation reveal the reason why pyrimidine transition and purine transition occur during replication

A. Takénaka, T. Chatake, T. Hikima, T. Hossain, A. Ono, Y. Ueno and A. Matsuda

 

X-ray analysis of a DNA dodecamer containing 5-formyluracil

M. Tsunoda, N. Karino, Y. Ueno, A. Matsuda and A. Takénaka

 

Structural studies of the transcription cofactor PC4

S. H. W. Scheres, J. M. H. van den Elsen, M. Meisterernst, J. Kroon and P. Gros

 

The crystal structure of two UUCG tetraloops

E. Ennifar, A. Nikulin, A. Serganov, M. Garber, C. Ehresmann, S. Nikonov and P. Dumas

 

The structure of double helical Hexitol Nucleic Acids

R. Declercq and L. Van Meervelt

 

Three-dimensional structures of the reduced and oxidized forms of cytochrome c₃ from Desulfovibrio desulfuricans ATCC 27774  at  pH 7.6

I. Bento, P. M. Matias and M. A. Carrondo

 

1.5Å high-resolution neutron diffraction results of rubredoxin

K. Kurihara, I. Tanaka, M. W. W. Adams, N. Moiseeva, R. Bau and N. Niimura

 

Structure of glutamate synthase, a complex iron-sulfur flavoprotein

C. Binda, R. Bossi, S. Wakatsuki, S. Artz, B. Curti, M. A. Vanoni and A. Mattevi

 

The fate of molybdate inside the cell: Azotobacter vinelandii ModG binding specificity

L. Delarbre, C. E. M. Stevenson, D. J. White, L. A. Mitchenall, R. N. Pau and D. M. Lawson

 

Ab initio crystal structure of low potentialcytochrome c₅₄₉ from Synechocistis sp. PCC6803

F. J. Enguita, C. Frazão, R. Coelho, J. Navarro, M. Hervás, M. De la Rosa, G. M. Sheldrick and M. A. Carrondo

 

Structural analysis of active site mutants of horseradish peroxidase C (HRP C)

K. Meno, O. Mirza, A. Henriksen and M. Gajhede

 

Structural determination of Bacterioferritin from Desulfovibrio Desulfuricans ATCC 27774

S. Macedo, P. M. Matias, E. Mitchell, A. Coelho, J. Le Gall, P. Lindley and M. A. Carrondo

 

Crystal structures of photosynthetic reaction center and high-potential iron-sulfur protein from Thermochromatium tepidum

T. Nogi, I. Fathir, M. Kobayashi, T. Nozawa and K. Miki

 

Magnesium-dependent Serratia marcescens endonuclease: three-dimensional structure at 1.1  Å resolution and molecular mechanism of enzyme action

V. V. Lunin, S. V. Shlyapnikov, M. Perbandt, Ch. Betzel and A. M. Mikhailov

 

T₆ and T₃R₃ Human Insulin at Atomic Resolution

R. H. Blessing, G. D. Smith and W. A. Pangborn

 

Crystal Structure of L-Chain Mouse Ferritin at 1.2  Å resolution

T. Granier, J. M. Chevalier, J. M. Mellado, M. Béhuré, B. Gallois, P. Santambrogio, P. Arosio and G. Précigoux

 

[NiFe] Hydrogenase from Desulfovibrio desulfuricans ATCC 27774: Gene sequencing, three-dimensional structure determination and refinement at1.8 Å and modelling studies of its interaction with the tetra-haem cytochrome c₃

P. M. Matias, C. M. Soares, L. M. Saraiva, R. Coelho, J. Morais, J. Le Gall and M. A. Carrondo

 

Design of Inhibitors of the Hepatitis C Virus Serine Protease: Modelling and Experimental Results

U. Koch, C. Gardelli, F. Narjes, V. G. Matassa and C. Steinkühler

 

Comprehensive Comparison of the Ergot Alkaloids Family with 5-HT_1A Receptor Pharmacophore Models

J. Cejka, B. Kratochvíl and A. Jegorov

 

The first step of tetanus toxin into nerve cell

C. Fotinou, K. A. Shina, H. Ando, H. Ishida, I. Black, P. Emsley, M. Kiso, N. Fairweather and N. W. Isaacs

 

Structure-activity relationships in some D-seco estrone derivatives

S. Stankovic, D. Lazar, T. Pilati, S. Jovanovic-Santa, J. Petrovic and R. Kovasevic

 

The structure of Retro-Diels-Alder catalytic antibody crystals and their evil twins

M. Hugot, J.-L. Reymond and U. Baumann

 

Structural Investigations of the Major Timothy Grass Pollen Allergen Phl p7

P. Verdino, A. Twardosz, R. Valenta and W. Keller

 

Structure of the matrix protein of VSV

M. Gaudier, Y. Gaudin and M. Knossow

 

Crystal structure of two pathogenesis-related proteins of class PR10 from yellow lupine

J. Biesiadka, G. Bujacz, M. Sikorski, M. Jaskolski and A. B. Legocki

 

Chimeric Human-Simian Anti-CD4 Antibodies Form Crystalline High Symmetry Particles

Y. G. Kuznetsov, J. Day and A. McPherson

 

The crystal structure of an anti-carbohydrate antibody directed against Vibrio cholerae in complex with antigen

P. M. Alzari, H. Souchon, J. M. Fournier and P. Kovác

 

The crystal structure of a murine TCR bound to an allogeneic MHC molecule

J. B. Reiser, C. Darnault, A. Guimezanes, C. Grégoire, T. Mosser, A.-M. Schmitt-Verhultz, J. C. Fontecilla-Camps, B. Malissen, D. Housset and G. Mazza

 

Crystal structure of the human transthyretin-retinol-binding protein complex bound to an anti-RBP Fab

G. Zanotti, V. Calderone, R. Battistutta, F. Gliubich, G. Malpeli, S. K. Nishida, C. Folli and R. Berni

 

From Immunoglobulin binding proteins to combinatorial crystallization

E. A. Stura, M. Graille, J.-B. Charbonnier, A. L. Corper, B. J. Sutton, M. J. Taussig and G. J. Silverman

 

Structure and function of heparin binding protein (CAP37)

J. S. Kastrup, A. K. Pedersen, L. F. Iversen, B. B. Stoffer and I. K. Larsen

 

Structure of the complex between Rac1 and its inhibitor partner RhoGDI at 2.7  Å resolution

S. Grizot, J. Fauré, F. Fieschi, P. Vignais, M.-C. Dagher and E. Pebay-Peyroula

 

A Redox-Dependent Interaction Between Two Electron-Transfer Partners Intervening In Photosynthesis

R. Morales, G. Kachalova, M.-H. Charon and M. Frey

 

Functional expression and preliminary X-ray crystallographic study of human Survivin

S. Shin and B.-H. Oh

 

Structural basis for the activation of the nuclear GTPase Ran by its -propeller exchange factor RCC1

L. Renault, J. Kuhlmann and A. Wittinghofer

 

Crystal structure of neuronal Sec1 from the squid Loligo pealei

A. Bracher, A. Perrakis, T. Dresbach, H. Betz and W. Weissenhorn

 

Domain-swapping dimerization of human cystatin C

M. Jaskolski, R. Janowski, M. Kozak, E. Jankowska, Z. Grzonka, A. Grubb, M. Alvarez Fernandez and M. Abrahamson

 

Structure of EVH1: a Novel Proline-Rich Ligand Binding Module Involved in Cytoskeletal Dynamics and Neural Function

A. A. Fedorov, E. Fedorov, F. Gertler and S. C. Almo

 

The BMP-2:BMP receptor IA complex: structural evidence for type I/type II receptor discrimination

T. Kirsch, J. Nickel, W. Sebald and M. Dreyer

 

Crystallographic Determination of the Free Radical Intermediate of Pyruvate: Ferredoxin Oxidoreductase

E. Chabriere, X. Vernede, M. H. Charon, B. Guigliarelli, E. C. Hatchikian and J. C. Fontecilla-Camps

 

Crystal structure of an anti-interleukin-2 monoclonal antibody Fab fragment complexed with an antigenic nonapeptide

P. V. Afonin, A. V. Fokin, I. N. Tsygannik, I. Y. Mikhailova and V. Z. Pletnev

 

Protons in Proteins - New insights from neutron diffraction

D. A. A. Myles and P. A. Timmins

 

Data Collection and Phasing on One Data Set

B. Schierbeek and F. van Meurs

 

Recent advances in the Collaborative Computational Project No. 4 for Protein Crystallography

C. Ballard

 

automar, marFLM, marHKL and marXDS: Data Reduction Software for mar detectors

C. Klein and K. S. Bartels

 

Towards automated Laue data processing: application to the choice of the optimal X-ray spectrum

D. Bourgeois, U. Wagner and M. Wulff

 

A New Software for Fine-Slice Data Collection Method for Protein Crystallography

N. H. Xuong, A. Arvai, C. Nielsen and R. Hamlin

 

Different 'ways' in multiwavelength anomalous dispersion (MAD) data collection

G. Sainz, G. Leonard, V. Stojanoff and A. Thompson

 

Direct structure solution by a pair-functional method with self-consistent fields

A. D. McLachlan

 

Diffraction Image Simulations of Single TBSV Particles

A. Zuev, P. Daniels, J. Hajdu, R. Neutze, D. van der Spoel, E. Weckert and R. Wouts

 

On the significance of an accurate vector-set selection in molecular replacement: a practical example

C. Alvarez-Rúa, J. Borge and S. García-Granda

 

Vector-search methods revisited in macromolecular crystallography: a new rotation function in Patterson space

J. Borge, C. Alvarez-Rúa and S. García-Granda

 

Crystallization and structure determination of human low density lipoprotein (LDL) at low resolution, using ab initio phases

S. Ritter, N. L. Lunina, V. Y. Lunin, A. G. Urzhumtsev, A. D. Podjarny, I. Frey, K. Diederichs and M. W. Baumstark

 

SIR2000: a parallel package

M. C. Burla, M. Camalli, B. Carrozzini, G. L. Cascarano, V. Di Martino, C. Giacovazzo, G. Polidori, D. Siliqi and R. Spagna

 

SYSTER: a program for the evaluation of systematic errors in reflection data

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

 

Flat model bulk solvent correction in the program REFMAC

R. A. Steiner and G. N. Murshudov

 

Improvement of the Inorganic Crystal Structure Database ICSD

R. Allmann

 

An Environment for Searching and Mining Multiple Structural Databases

P. S. White, Y. Le Page and J. R. Rodgers

 

PC Crystal Chemistry Analysis of Organic Crystal Structures

P. N. Oleynikov and P. M. Zorky

 

Packing Patterns of Oximes

W. D. S. Motherwell, L. C. Kerr and P. R. Raithby

 

Different ways of establishing crystal structure interrelations: new examples

O. Yakubovich and W. Massa

 

Detection of Molecular Symmetry in the Cambridge Structural Database

J. W. Yao, J. C. Cole, W. D. S. Motherwell and F. H. Allen

 

Direct Visualization of an Impurity Depletion Zone

A. A. Chernov, J. M. Garcia-Ruiz and B. R. Thomas

 

Crystallization screening with electrophoretic gels

J. M. García-Ruiz, A. Hernández-Hernández, J. López-Jaramillo and B. Thomas

 

Relationships between H-bonding and donor - acceptor bonds in amine-functionalized alkoxides of aluminium and gallium

J. Zachara, J. Lewinski, T. Kopec, J. Lipkowski and E. Kolodziejczyk

 

Ultra-high resolution structure of a new polymorphic form of bovine pancreatic trypsin inhibitor

A. Addlagatta, H. Czapinska, Sz. Krzywda, J. Otlewski and M. Jaskólski

 

Hydrogen bond networks of solid cephalosporins - comparison with their biological activity

I. Madura, J. Zachara, A. Zimniak and I. Oszczapowicz

 

Formation of Highly Crystalline Guanidinium Salts of Sulfonated Phosphines and their Complexes

A. Cs. Bényei, Á. Kathó and F. Joó

 

Evidence for Intramolecular N-H...O Resonance-Assisted H-Bond in -Enaminones and Related Heterodienes

P. Gilli, V. Ferretti and V. Bertolasi

 

The influence of cations on the formation of the intramolecular hydrogen bond in hydrogen phthalates

A. Langkilde and S. Larsen

 

The role of intra- and intermolecular hydrogen bonding in the crystal structure of arylsulfonylguanidine derivatives

I. Dybala, A. E. Koziol, E. Szacoñ and D. Matosiuk

 

Inclusion crystals of finasteride

I. Wawrzycka, A. E. Koziol and E. Cendrowska

 

Hydrogen Bonds in 13-Hydroxylupanine Epimers

I. Wolska and T. Borowiak

 

Neutron diffraction study of very short OHN hydrogen bonds in phenol - pyridine adduct

I. Majerz, T. Steiner, S. A. Mason and C. C. Wilson

 

Solid State Investigation of the Polymorphic System of Butethal-5-ethyl-5-N-Butyl Barbituric Acid

O. Navon and J. Bernstein

 

Synthesis and crystal structure of two acidic selenates: (C₆H₁₄N₂)(HSeO₄)₂ and (C₆H₁₆N₂)(HSeO₄)₂

M. A. Zakharov, S. I. Troyanov, L. A. Aslanov and E. Kemnitz

 

Crystal structures of n-octadecylammonium halides

M. Rademeyer, D. G. Billing and G. J. Kruger

 

Controlled host:guest ratio in inclusion compounds

H. Su and L. R. Nassimbeni

 

Crystallographic and Thermodynamic Aspects of Cephalosporin Complexation

R. de Gelder, G. J. Kemperman, F. J. Dommerholt, A. J. H. Klunder and B. Zwanenburg

 

Quasi-racemates, Racemates and Enantiomers of Cobaloximes

C. Hu, R. Härter, I. Kalf and U. Englert