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