Acta Crystallographica Section A

Foundations of Crystallography

Volume 61, Supplement (August 2005)

Abstracts of the XX IUCr Congress

Florence, Italy, 23-31 August 2005

• abstracts

abstracts

Acta Cryst. (2005). A61, C1

A theoretician's view of crystallography

R. Hoffmann

Acta Cryst. (2005). A61, C1

Structure and recognition in the BARS/CtBP-dependent transcription regulation

M. Bolognesi and M. Nardini

Acta Cryst. (2005). A61, C1

Ion pumping by Ca²⁺-ATPase of sarcoplasmic reticulum

C. Toyoshima

Acta Cryst. (2005). A61, C1

Neutrons and X-rays for microstructure and strain/stress analysis in materials

W. Reimers

Acta Cryst. (2005). A61, C1

Single-particle diffraction

D. Sayre

Acta Cryst. (2005). A61, C1-C2

Elucidating the structures of nanoporous microcrystals

L. B. McCusker

Acta Cryst. (2005). A61, C2

Structure analysis of modulated crystals: trends and tendencies

V. Petricek and M. Dusek

Acta Cryst. (2005). A61, C2

High throughput technologies in structural biology

R. C. Stevens

Acta Cryst. (2005). A61, C2

Structure solution of pharmaceutical compounds from powder diffraction data

P. W. Stephens

Acta Cryst. (2005). A61, C2-C3

Quasicrystal structure analysis. The state of the art

A. Yamamoto

Acta Cryst. (2005). A61, C3

Structure of protein assemblies by comparative modeling and electron microscopy

A. Sali, M. Topf, M. L. Baker and W. Chiu

Acta Cryst. (2005). A61, C3

Quantum mechanical simulation of the vibrational properties of garnets

R. Dovesi, R. Orlando, F. Pascale and J. F. Torres

Acta Cryst. (2005). A61, C3

In situ X-ray study of hydrothermally prepared titanates and silicotitanates

A. Clearfield, A. Tripathi and D. Medvedev

Acta Cryst. (2005). A61, C3-C4

Catalysts of de novo disulfide bond formation

D. Fass, E. Gross, N. Heldman and E. Vitu

Acta Cryst. (2005). A61, C4

Synthetic crystallography

A. G. Orpen

Acta Cryst. (2005). A61, C4

A perspective on the crystal structures of high pressure elements and their properties

J. S. Tse

Acta Cryst. (2005). A61, C4

Some new insights in to the mechanisms of fullerene and nanotube formation

H. Kroto

Acta Cryst. (2005). A61, C4

Protein kinase inhibition and substrate recognition

L. N. Johnson

Acta Cryst. (2005). A61, C4-C5

Crystallography in inorganic solid-state chemistry

J. A. Ibers

Acta Cryst. (2005). A61, C5

The importance of structure in the design of lithium battery materials

M. Thackeray

Acta Cryst. (2005). A61, C5

Pore-forming toxins

M. W. Parker

Acta Cryst. (2005). A61, C5

Pressure induced complexity in the elements

M. McMahon

Acta Cryst. (2005). A61, C5

Electrostatic and related properties from accurate charge density analyses

M. A. Spackman

Acta Cryst. (2005). A61, C5-C6

Structural and functional studies of large macromolecular assemblies

N. Ban

Acta Cryst. (2005). A61, C6

Microbeam diffraction using high energy synchrotron radiation

L. Margulies, H. Poulsen and D. J. Jensen

Acta Cryst. (2005). A61, C6

New possibilities for structure determination of biomolecular complexes

D. Svergun

Acta Cryst. (2005). A61, C6

Bound ligands to probe the activity of type 2 copper sites in proteins

M. E. P. Murphy

Acta Cryst. (2005). A61, C6

Crystallochemical basis of synthetic mineral immobilisation

T. White, M. Srinivasan and J. Kim

Acta Cryst. (2005). A61, C7

Molecular recognition principles in protein-ligand interactions as a prerequisite for the design of specific and selective leads

G. Klebe

Acta Cryst. (2005). A61, C7

Structural studies of macromolecular complexes: cytochrome b₆f

J. L. Smith

Acta Cryst. (2005). A61, C7

Metal-organic frameworks: assembly and crystal dynamics of functional materials

M. P. Suh, E. Y. Lee, H. R. Moon and H. J. Choi

Acta Cryst. (2005). A61, C7-C8

Nano structures studied by convergent beam electron diffraction

M. Tanaka

Acta Cryst. (2005). A61, C8

Ultrafast electron crystallography

A. Zewail

Acta Cryst. (2005). A61, C8

Structural studies of amyloid

D. Eisenberg, R. Nelson, M. R. Sawaya, M. Balbirnie, A. Ø. Madsen, C. Riekel, S. Sambashivan, Y. Liu, M. Gingery and R. Grothe

Acta Cryst. (2005). A61, C8

The surface structure of model catalyst in action investigated by X-ray diffraction

S. Ferrer, M. D. Ackermann, O. Robach, B. L. M. Hendriksen, I. Popa and J. Frenken

Acta Cryst. (2005). A61, C8

Strategies and design principles in biomineralization

L. Addadi and S. Weiner

Acta Cryst. (2005). A61, C9

Optimizing your crystals - is it really worth the time?

A. Hassell

Acta Cryst. (2005). A61, C9

Improvement of crystal quality by time controlled annealing

V. Stojanoff, A. Vahedi-Faridi and J. I. Yeh

Acta Cryst. (2005). A61, C9

Designed ankyrin repeat proteins as tools for the crystallization of proteins

M. G. Gruetter

Acta Cryst. (2005). A61, C9

Effect of crystal size and cooling method on cryoprotection and data quality

C. Schall, U. Chinte, B. Shah and L. Hanson

Acta Cryst. (2005). A61, C9-C10

Data mining and machine learning for improved crystallization success - expectations and reality

B. Rupp

Acta Cryst. (2005). A61, C10

The amazing versatility of proteins - structural polymorphism and evolution

A. M. Gronenborn, I.-J. L. Byeon and J. M. Louis

Acta Cryst. (2005). A61, C10

The mechanisms of conversion of proteins into amyloid fibrils

F. Chiti

Acta Cryst. (2005). A61, C10

Structural changes in the bacterial toxin pneumolysin during pore formation

S. Tilley, E. Orlova, R. Gilbert, P. Andrew and H. Saibil

Acta Cryst. (2005). A61, C10-C11

Obeying Anfinsen: a serpin that folds to the most stable state

J. C. Whisstock, Q. Zhang, R. H. P. Law, K. Ruzyla, J. A. Irving, L. Cabrita, K. F. Fulton, A. M. Lesk, A. M. Buckle, J. Rossjohn and S. P. Bottomley

Acta Cryst. (2005). A61, C11

Spontaneous resolutions in halogen bonded fluorinated networks

P. Metrangolo, H. Neukirch, T. Pilati and G. Resnati

Acta Cryst. (2005). A61, C11

Invariom modeling for improving absolute structure determination

M. Strumpel, M. Schaefer, T. Koritsanszky and B. Dittrich

Acta Cryst. (2005). A61, C11

Optical topographies of chiral structures

W. Kaminsky and B. Kahr

Acta Cryst. (2005). A61, C11

Nonlinear optical properties of chiral polymers and systems

A. Persoons

Acta Cryst. (2005). A61, C11-C12

Some reminiscences of non-centrosymmetric structures

J. Bernstein

Acta Cryst. (2005). A61, C12

Modifying nucleation kinetics of polymorphic crystals in bulk and emulsion states

K. Sato

Acta Cryst. (2005). A61, C12

Controlling crystal polymorphism: from stability prediction to crystallization process design

S. M. Reutzel-Edens

Acta Cryst. (2005). A61, C12

Crystal structure prediction: theory, applications and challenges

F. J. J. Leusen

Acta Cryst. (2005). A61, C12-C13

Polymorphism in co-crystals and pharmaceutical co-crystals

M. Zaworotko and V. Peddy

Acta Cryst. (2005). A61, C13

An exploration of polymorphism in molecular crystals using high pressure

C. R. Pulham, F. P. A. Fabbiani, D. R. Allan, A. J. Davidson, W. G. Marshall and S. Parsons

Acta Cryst. (2005). A61, C13

Structural transitions in perovskites: successes of a group theoretical approach

C. J. Howard

Acta Cryst. (2005). A61, C13

Phase transitions in relaxor ferroelectric based solid solutions

D. Pandey and A. K. Singh

Acta Cryst. (2005). A61, C13

The phase diagram of Ca_2-xSr_xRuO₄: crystal structure and physical properties

M. Braden, O. Friedt, O. Schumann, J. Baier, P. Steffens, M. Kriener, T. Lorenz, F. Bouree, G. André, A. Gukasov, P. G. Radaelli, S. Nakatsuji and Y. Maeno

Acta Cryst. (2005). A61, C14

Volume collapse at the Jahn-Teller transition in LaMnO₃

T. K. Chatterji, B. Ouladdiaf and F. Fauth

Acta Cryst. (2005). A61, C14

Nucleation and growth mechanisms in solid-solid phase transitions

S. Leoni and D. Zahn

Acta Cryst. (2005). A61, C14

Application of X-ray diffraction in the forensic science laboratory of Stuttgart Germany

W. Kugler

Acta Cryst. (2005). A61, C14

Soil mineralogy and other properties in forensic investigations

R. W. Fitzpatrick and M. Raven

Acta Cryst. (2005). A61, C14-C15

Applications of XRD in forensic casework

W. Heijnen, A. van de Craats, J. de Koeijer, L. Koomen and M. Warmerdam

Acta Cryst. (2005). A61, C15

X-ray chemical analysis for forensic applications using synchrotron radiation

Y. Terada

Acta Cryst. (2005). A61, C15

The Zintl-Klemm concept applied to cations in oxides. An alternative interpretation of the structures of silicates

A. Vegas, D. Santamaría-Pérez and F. Liebau

Acta Cryst. (2005). A61, C15

Uranyl selenates: from finite clusters to nanotubules

S. V. Krivovichev, V. Kahlenberg, I. Tananaev and B. Myasoedov

Acta Cryst. (2005). A61, C15-C16

Molecule-mineral inner-surface interactions in nanoporous silicates

C. A. Geiger and B. A. Kolesov

Acta Cryst. (2005). A61, C16

TEM and XPS evidences of O/F ordering in NbO₂F

C. Ferraris, T. White, M. Srinivasan, A. di Bona and R. Smart

Acta Cryst. (2005). A61, C16

Crystal structures and topology of new and rare arsenates

N. V. Zubkova, D. Y. Pushcharovsky, S. J. Teat, E. J. Mac Lean and H. Sarp

Acta Cryst. (2005). A61, C16

Does the crystal structure of ammonium transporter tell us its function?

X.-D. Li, L. Zheng, D. Kostrewa, S. Bernèche and F. K. Winkler

Acta Cryst. (2005). A61, C16-C17

Two OMPs: autotranslocation and LPS-deacylation

L. Vandeputte-Rutten, C. J. Oomen, J. Tommassen and P. Gros

Acta Cryst. (2005). A61, C17

X-ray structures of phospholipids in bovine heart cytochrome c oxidase

H. Aoyama, K. Shinzawa-Itoh, H. Terada, Y. Tadehara, E. Yamashita, T. Sugimura, T. Tsukihara and S. Yoshikawa

Acta Cryst. (2005). A61, C17

Structure of rhodopsin as a G protein-coupled receptor

J. Li, P. Edwards, G. Schertler and M. Burghammer

Acta Cryst. (2005). A61, C17

Dephosphorylation of the calcium pump coupled to counterion occlusion

C. Olesen, T. L. Sørensen, R. C. Nielsen, J. Møller and P. Nissen

Acta Cryst. (2005). A61, C18

XAS and XRD: complementary tools to explore matter under extreme pressure

A. San Miguel

Acta Cryst. (2005). A61, C18

Element- and site-specific study of the atomic origin of magnetic hardness in modern magnets

D. Haskel, J. Lang, Z. Islam, A. Cady, G. Srajer, M. Van Veenendaal, P. Canfield and A. Ankudinov

Acta Cryst. (2005). A61, C18

X-rays to elucidate the structure of catalysts: probing the local and the crystalline structure by XAS and XRD

J.-D. Grunwaldt and A. Baiker

Acta Cryst. (2005). A61, C18

Structural properties of semiconductor nanostructures determined via X-ray anomalous diffraction (DAFS) and absorption (EXAFS)

M. G. Proietti, J. Coraux, H. Renevier, V. Favre-Nicolin, C. Monat, M. Gendry and B. Daudin

Acta Cryst. (2005). A61, C18-C19

The power of the multi-disciplinary approaches to the study of minor and trace element incorporation in geo- and technological materials

S. Quartieri, R. Oberti, M. C. Dalconi, F. Boscherini, G. Iezzi and M. Boiocchi

Acta Cryst. (2005). A61, C19

Time-resolved photocrystallography of short-lived molecular excited states

P. Coppens

Acta Cryst. (2005). A61, C19

Crystal structure prediction with WIEN2k

K. Schwarz and P. Blaha

Acta Cryst. (2005). A61, C19

Correlation of structures and reactivity of bispidine coordination compounds

P. Comba

Acta Cryst. (2005). A61, C19-C20

Structure of halofullerenes using experimental and theoretical approaches

S. Troyanov, N. Shustova, A. Popov, I. Ioffe and E. Kemnitz

Acta Cryst. (2005). A61, C20

The nature of the HB. 3. Towards a comprehensive HB theory

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

Acta Cryst. (2005). A61, C20

Roles of X-ray optics in the next generation X-ray source

M. Yabashi, K. Tamasaku, Y. Tanaka, T. Hara, T. Tanaka, S. Goto, T. Shintake, H. Kitamura and T. Ishikawa

Acta Cryst. (2005). A61, C20

Ultrafast X-ray studies of structural dynamics

K. J. Gaffney

Acta Cryst. (2005). A61, C20

Imaging of single molecules

S. Marchesini

Acta Cryst. (2005). A61, C20-C21

Parabolic refractive X-ray lenses

B. Lengeler, B. Benner, M. Kuhlmann and C. G. Schroer

Acta Cryst. (2005). A61, C21

Solid state detectors for present and future X-ray sources

C. Broennimann

Acta Cryst. (2005). A61, C21

Diffuse scattering and Monte Carlo studies of relaxor ferroelectrics

T. R. Welberry

Acta Cryst. (2005). A61, C21

Order and disorder in lysozyme crystals caused by the phase transition

K. Harata and T. Akiba

Acta Cryst. (2005). A61, C21

X-ray and neutron diffuse scattering by cation and anion deficient zirconia

I. Kaiser-Bischoff, F. Frey and H. Boysen

Acta Cryst. (2005). A61, C22

Diffuse scattering study of 2D superstructure in a T' electron-doped cuprate superconductor

B. J. Campbell, S. Rosenkranz, P. J. Chupas, H. J. Kang, P. Dai, Y. Kurita, S. Komiya and Y. Ando

Acta Cryst. (2005). A61, C22

Cooperative evolution: a new algorithm for refining disordered structures

T. Weber

Acta Cryst. (2005). A61, C22

Application of symmetry to magnetism and its consequences for crystallography

A. S. Wills

Acta Cryst. (2005). A61, C22

CrysFML: a library to develop crystallographic programs in Fortran 95. Powder diffraction examples

J. Rodríguez-Carvajal and J. González-Platas

Acta Cryst. (2005). A61, C22-C23

Peter Piper picked a problem trickier than most. Can computer science solve the problem Peter Piper picked?

S. J. L. Billinge

Acta Cryst. (2005). A61, C23

Single crystal quality structures from polycrystalline samples

G. B. M. Vaughan, H. O. Sorensen, S. Schmidt and H. F. Poulsen

Acta Cryst. (2005). A61, C23

'Pushing the boundaries' of differential evolution in SDPD

S. Y. Chong and M. Tremayne

Acta Cryst. (2005). A61, C23

Layered compounds: from modular description to rational design

L. Cario

Acta Cryst. (2005). A61, C23-C24

Recurrent modules in modular structures

G. Ferraris

Acta Cryst. (2005). A61, C24

Refinement of partially disordered OD structures

J. Hybler and S. Durovic

Acta Cryst. (2005). A61, C24

Incommensurately modulated structure in natural melilites

L. Bindi and P. Bonazzi

Acta Cryst. (2005). A61, C24

Modular approach applied to tailoring of bismuth-containing layered perovskites

D. O. Charkin, I. V. Kul'bakin and D. N. Moskvin

Acta Cryst. (2005). A61, C25

Crystal structure of Rv0813c reveals a new family of putative FABPs

W. Shepard, A. Haouz, A. Buschiazzo, J. M. Betton, S. T. Cole and P. Alzari

Acta Cryst. (2005). A61, C25

Chasing the function of hypothetical proteins

O. Herzberg, G. Gilliland, J. Orban, A. Howard and J. Moult

Acta Cryst. (2005). A61, C25

Functional and structural proteomics of SARS: defining a rational response to emerging diseases

J. Joseph, A. Brooun, B. Neuman, E. Abola, J. Stevens, K. Saikatendu, M. Johnson, M. Recht, M. Kraus, M. Nelson, R. Burrer, S. Coon, V. Subramanian, W. Li, A. Godzik and I. Wilson

Acta Cryst. (2005). A61, C25-C26

Whole-cell project of Thermus Thermophilus HB8 toward atomic-resolution biology

S. Kuramitsu, A. Ebihara, M. Kanagawa, N. Nakagawa, R. Masui, K. Murayama, T. Terada, M. Shirouzu, K. Miki and S. Yokoyama

Acta Cryst. (2005). A61, C26

Structural proteomics: a rich source of purified proteins for functional assays

A. Edwards, E. Kuznetsova, M. Proudfoot, S. A. Sanders, C. F. Gonzalez, O. V. Litvinova, A. V. Savchenko, C. H. Aroowsmith and A. F. Yakunin

Acta Cryst. (2005). A61, C26

Dynamics of glassy materials by high resolution inelastic X-ray scattering

D. Fioretto

Acta Cryst. (2005). A61, C26

Collective dynamics of liquid metals: from simple to extremely non-simple

S. Hosokawa

Acta Cryst. (2005). A61, C26

Vibrational dynamics of iron in proteins

J. T. Sage

Acta Cryst. (2005). A61, C26-C27

High-resolution inelastic X-ray scattering of materials of geophysical interest

G. Fiquet

Acta Cryst. (2005). A61, C27

Phonon dispersions in fcc -Pu-Ga by high resolution inelastic X-ray scattering

J. Wong

Acta Cryst. (2005). A61, C27

Multipolar interactions in structural chemistry and biology

F. Diederich, K. Müller and R. Paulini

Acta Cryst. (2005). A61, C27

Carbonylcarbonyl interactions are structurally ubiquitous and important

F. H. Allen

Acta Cryst. (2005). A61, C27-C28

Small molecules and macromolecules make contact: messages from protein structures to atomic resolution

A. Schmidt and V. S. Lamzin

Acta Cryst. (2005). A61, C28

Protein-protein interactions in the cyanobacterial KaiABC circadian clock

M. Egli

Acta Cryst. (2005). A61, C28

Unusual ion coordination in membrane channels and CH hydrogen bonds in enzyme catalysis

W. L. Duax, V. Pletnev, M. Glowka and R. Huether

Acta Cryst. (2005). A61, C28

Structure determination of zeolites: making all the pieces fit

K. G. Strohmaier, M. Afeworki, G. J. Kennedy and D. L. Dorset

Acta Cryst. (2005). A61, C28-C29

Structural characterisation and properties of new microporous materials

J. Rocha

Acta Cryst. (2005). A61, C29

Direct localization of atoms in nanoporous powders by resonant contrast diffraction

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

Acta Cryst. (2005). A61, C29

Structural characterisation of encapsulated nanoparticles inside mesoporous MCM-48 with XRD, TEM and EXAFS

B. Marler, H. Gies, M. Bandyophadyay, O. Korsak, A. Birkner, K. V. Klementiev, M. W. E. van den Berg and W. Grünert

Acta Cryst. (2005). A61, C29

Zeolite and MCM nano- and mesoporous structures

O. I. Lebedev, D. Liang and G. Van Tendeloo

Acta Cryst. (2005). A61, C29-C30

Nowotny chimney ladders and giant cubic structures: electron driven interfaces

D. Fredrickson, S. Lee, R. Hoffmann, J. T. Schmidt and J. Sun

Acta Cryst. (2005). A61, C30

Ordering as occupational modulations, and their superspace description

J. M. Perez-Mato and L. Elcoro

Acta Cryst. (2005). A61, C30

Flexible local crystal chemistry and its (modulated) consequences

R. Withers, F. Brink, L. Norén and Y. Liu

Acta Cryst. (2005). A61, C30

Incommensurate crystallographic shear structure of Ba_xBi_2-2xTi_4-xO_11-4x (x = 0.275)

Y. Michiue, A. Yamamoto, M. Onoda, A. Sato, T. Akashi, H. Yamane and T. Goto

Acta Cryst. (2005). A61, C30

Solving modulated crystals of profilin:actin

G. Borgstahl, C. Murphy, J. Lovelace, K. Narayan, C. Svensson, U. Lindberg and C. Schutt

Acta Cryst. (2005). A61, C31

Phasing via full pattern powder decomposition by Monte Carlo and Patterson methods

C. Giacovazzo, A. Altomare, R. Caliandro, C. Cuocci, A. G. Moliterni and R. Rizzi

Acta Cryst. (2005). A61, C31

Ab-initio structure solution without the use of atomicity

G. Oszlányi and A. Süto

Acta Cryst. (2005). A61, C31

A DS5 (direct-searcher automatic system version 5) program for small molecules running on Windows PCs

K. Okada and B. Ploenpit

Acta Cryst. (2005). A61, C31

Maximising the information obtainable from diffraction experiments

J. S. O. Evans

Acta Cryst. (2005). A61, C31-C32

Small molecule crystallographic computing - what is the future?

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

Acta Cryst. (2005). A61, C32

Insights into deformation mechanisms from in-situ diffraction experiments

M. Daymond

Acta Cryst. (2005). A61, C32

Strain mapping methods and instruments: recent advances and future implications

M. Fitzpatrick

Acta Cryst. (2005). A61, C32

Contribution of numerical simulation to stress evaluation by neutron or synchrotron diffraction

J.-M. Sprauel

Acta Cryst. (2005). A61, C32-C33

Study of elasto-pastic deformation in Mg alloy using synchrotron radiation

M. Golshan, D. Laundy, S. Yan Zhang, W. Vorster, D. Dini, A. Korsunsky and D. Latham

Acta Cryst. (2005). A61, C33

Depth-resolved strain measurements by energy-variable X-ray diffraction

E. Zolotoyabko

Acta Cryst. (2005). A61, C33

Diffraction imaging of the yeast cell: first results

D. Shapiro, P. Thibault, T. Beetz, V. Elser, M. Howells, C. Jacobsen, J. Kirz, E. Lima, H. Miao, A. M. Neiman and D. Sayre

Acta Cryst. (2005). A61, C33

Imaging magnetic nanostructures by X-ray holography

S. Eisebitt

Acta Cryst. (2005). A61, C33

Prospects for X-ray diffraction imaging of single biological molecules

S. P. Hau-Riege

Acta Cryst. (2005). A61, C33-C34

Imaging of atom clusters by hard X-ray free electron laser pulses

Z. Jurek, G. Faigel, G. Oszlanyi and M. Tegze

Acta Cryst. (2005). A61, C34

Three-dimensional data merging of randomly oriented continuous diffraction patterns

G. Huldt and L. Csenki

Acta Cryst. (2005). A61, C34

Development of a high-throughput structure determination pipeline at BM14

M. A. Walsh, L. Launer, H. Belrhali, J.-B. Reiser and H. Caserotto

Acta Cryst. (2005). A61, C34

Automating crystallographic structure determination calculations

W. F. Anderson, J. S. Brunzelle, G. Minasov and L. Shuvalova

Acta Cryst. (2005). A61, C34-C35

HT structure determination at SER-CAT: five structures in 23 hours

J. P. Rose, Z.-J. Liu, L. R. Chen, W. H. Zhou, D. Lee, D. Lin, W. Tempel, Z.-Q. Fu and B. C. Wang

Acta Cryst. (2005). A61, C35

The integration of data reduction and structure solution - from diffraction images to an initial model in minutes

W. Minor, M. Cymborowski, M. Chruszcz and Z. Otwinowski

Acta Cryst. (2005). A61, C35

Medium throughput protein crystallography: limiting steps in the pipeline

K. S. Wilson

Acta Cryst. (2005). A61, C35

Blowing hot and cold and its effect on some crystals

C. Wilson

Acta Cryst. (2005). A61, C35

Photo-induced molecular switching: neutron diffraction studies

B. Gillon

Acta Cryst. (2005). A61, C35-C36

Photo excited state crystallography of iodo-bridged dicopper(I) complex

Y. Ozawa, S. Yoshida, M. Mitsumi, K. Toriumi, N. Yasuda, K. Tsuge, H. Araki and Y. Sasaki

Acta Cryst. (2005). A61, C36

Multitemperature X-ray diffraction analysis in the study of phase transitions, molecular dynamics and crystal disorder

M. Y. Antipin

Acta Cryst. (2005). A61, C36

Melting-point variation in isomeric dibromobenzenes

K. F. Dziubek and A. Katrusiak

Acta Cryst. (2005). A61, C36

Solving organic structures from powder diffraction: news from the FOX

V. Favre-Nicolin and R. Cerny

Acta Cryst. (2005). A61, C36-C37

Molecular crystal structures from low-resolution powder diffraction data: reliability and validation of the results obtained

V. V. Chernyshev

Acta Cryst. (2005). A61, C37

Close contact penalty functions in direct space methods and energetic considerations in structure refinement

C. Liang

Acta Cryst. (2005). A61, C37

Differential thermal expansion and laboratory capillary X-ray powder diffraction: progress, practicalities and performance

P. Fernandes, A. J. Florence, N. Shankland, A. R. Kennedy, W. David and K. Shankland

Acta Cryst. (2005). A61, C37

Rapid structure solution using global optimisation and distributed computing

K. Shankland, T. Griffin, A. Markvardsen, W. David and J. van de Streek

Acta Cryst. (2005). A61, C37-C38

Fabricating novel symmetry nanoscale systems using quasicrystal surfaces

R. McGrath

Acta Cryst. (2005). A61, C38

Maximum or minimum density principle determines the bulk terminations of quasicrystals?

Z. Papadopolos and G. Kasner

Acta Cryst. (2005). A61, C38

Diffuse scattering and phasons in the i-Zn-Mg-Sc phase and its 1/1 approximant

M. de Boissieu, T. Ishimas and S. Francoual

Acta Cryst. (2005). A61, C38

A high pressure high temperature study of Co-rich d-Al-Co-Ni

G. Krauss, Q. Gu, S. Katrych and W. Steurer

Acta Cryst. (2005). A61, C38

Mesoscopic Archimedean tilings in polymeric stars

Y. Matsushita, W. Kawashima, A. Noro, A. Takano, N. Tanaka and T. Dotera

Acta Cryst. (2005). A61, C38-C39

Development of very-high rate and resolution neutron detectors in DETNI

B. Gebauer, S. S. Alimov, A. Brogna, S. Buzzetti, W. Dabrowski, T. Fiutowski, M. Klein, C. Petrillo, F. Sacchetti, C. J. Schmidt, H. K. Soltveit, C. Schulz, R. Szczygiel, U. Trunk, C. Turconi and T. Wilpert

Acta Cryst. (2005). A61, C39

A direct-conversion Se-based 2D-detector for protein crystallography

J. Hendrix

Acta Cryst. (2005). A61, C39

Protein crystallography with the PILATUS 1M detector

G. S. Huelsen

Acta Cryst. (2005). A61, C39

A new high-speed, photon-counting X-ray area detector

R. Durst, B. Becker, Y. Diawara, D. Khazins, S. Medved, V. Sedev, K. Smith, T. Thorson and G. Wachter

Acta Cryst. (2005). A61, C39

Dead-time in X-ray photon counting detectors

D. Laundy

Acta Cryst. (2005). A61, C40

Chrysotile, a naturally occurring nanotube material

B. Grobety

Acta Cryst. (2005). A61, C40

Solid state NMR crystallography of inorganic materials

F. Taulelle

Acta Cryst. (2005). A61, C40

Combined XRPD and spectroscopic study of molecules hosted in zeolitic channels

C. Lamberti, C. Prestipino, M. Milanesio, G. Marra, A. N. Fitch and G. Artioli

Acta Cryst. (2005). A61, C40

Diffraction study of the semiconducting Cu₂(Se,Te)₃-(Ga,In)₂(Se,Te)₃ systems

J. M. Delgado, J. Contreras, G. Marín, S. M. Wasim and C. Rincón

Acta Cryst. (2005). A61, C41

The growth and morphology of diamond crystals

M. Moore

Acta Cryst. (2005). A61, C42

How the RCSB validates PDB structures

H. M. Berman

Acta Cryst. (2005). A61, C42

A systematic study of flexibility in protein structures and its implications in protein structure prediction

A. Godzik

Acta Cryst. (2005). A61, C42

Bioinformatics approach to characterization of SGNH/GDSL-hydrolases

B. Kojic-Prodic, F. Kovacic, I. Lescic, S. Wilhelm, S. Tomic and K.-E. Jaeger

Acta Cryst. (2005). A61, C42

Validation and classification of protein structures

M. J. Sippl, C. Weichenberger, M. Wiederstein and S. Suhrer

Acta Cryst. (2005). A61, C42-C43

ESPript/ENDscript: sequence and 3D information from protein structures

P. Gouet, X. Robert and E. Courcelle

Acta Cryst. (2005). A61, C43

Plastic visions in art and science

M. Kemp

Acta Cryst. (2005). A61, C43

M.C. Escher and the crystallographers

D. Schattschneider

Acta Cryst. (2005). A61, C43

Ancient crystalline materials for the arts of beauty

G. Tsoucaris and P. Walter

Acta Cryst. (2005). A61, C43-C44

Art in crystallography in art

E. Meyer

Acta Cryst. (2005). A61, C44

Diffusion of guests into non-porous crystals

J. L. Atwood, L. J. Barbour and P. K. Thallapally

Acta Cryst. (2005). A61, C44

Sandwiches and cavities: the supramolecular chemistry of hemimellitic acid

S. H. Dale, A. E. L. Coombs, W. Clegg, M. R. J. Elsegood and S. Kainth

Acta Cryst. (2005). A61, C44

Supramolecular coordination chemistry - the challenge of the outer sphere

A. F. Williams

Acta Cryst. (2005). A61, C44-C45

Structure control by hydrogen bonding to anions and coordination to cations

J. W. Steed and D. R. Turner

Acta Cryst. (2005). A61, C45

Molecular-level devices and machines

V. Balzani, A. Credi and M. Venturi

Acta Cryst. (2005). A61, C45

Exploiting preferred orientation to resolve the intensities of overlapping reflections

L. Kocher, L. B. McCusker and C. Baerlocher

Acta Cryst. (2005). A61, C45

New strategies for the ab-initio structure solution in EXPO2005

A. G. Moliterni, A. Altomare, R. Caliandro, M. Camalli, C. Cuocci, C. Giacovazzo and R. Rizzi

Acta Cryst. (2005). A61, C45-C46

Are well known phase diagrams really well known?

R. E. Dinnebier

Acta Cryst. (2005). A61, C46

Structure solution of thermal decomposition compounds using laboratory X-rays

T. Bataille

Acta Cryst. (2005). A61, C46

Structure solution of single-element molecules from pair distribution function

P. Juhas, D. M. Cherba, P. M. Duxbury, W. Punch and S. J. L. Billinge

Acta Cryst. (2005). A61, C46

Exploring the configurational landscape of biomolecular systems under extreme conditions

R. Winter

Acta Cryst. (2005). A61, C46

Probing two heads configuration of heavy meromyosin by high-pressure SAXS technique

T. Fujisawa, S. Kuwamoto, Y. Maéda and Y. Okamoto

Acta Cryst. (2005). A61, C46-C47

SAXS investigations of conformation and stability of eye lens proteins under pressure

S. Finet, F. Skouri-Panet and A. Tardieu

Acta Cryst. (2005). A61, C47

When macromolecular crystallography meets high pressure techniques...

E. Girard, R. Kahn, M. Mezouar, A.-C. Dhaussy, T. Lin, J. E. Johnson and R. Fourme

Acta Cryst. (2005). A61, C47

High pressure cooling of protein crystals without cryoprotectants

C. U. Kim and S. M. Gruner

Acta Cryst. (2005). A61, C47

Ab-initio quantum-mechanical calculation of electron charge-density in crystals

R. Orlando, B. Civalleri, R. Dovesi and P. Ugliengo

Acta Cryst. (2005). A61, C47-C48

Beyond ²_b: chemical bond analysis using the local form of the source function

C. Gatti, L. Bertini and F. Cargnoni

Acta Cryst. (2005). A61, C48

Thermal motion analysis via modern probability methods

C. K. Johnson

Acta Cryst. (2005). A61, C48

Images of unpaired electron density in molecular crystals obtained using experimentally constrained wavefunctions

D. Jayatilaka, A. Whitton, S. Pillet, Y. Pontillon and C. Lecomte

Acta Cryst. (2005). A61, C48

Holographic principles of molecular structure and electron density calculations

P. G. Mezey

Acta Cryst. (2005). A61, C48

Recent aspects of the theory of oriented crystal associations

M. Nespolo

Acta Cryst. (2005). A61, C49

Non-merohedral twinning in small molecule and protein crystallography

R. Herbst-Irmer

Acta Cryst. (2005). A61, C49

Additional reflections and polytypic sequences in polygonal serpentine

C. Viti, M. Logar, M. Mellini and E. Mugnaioli

Acta Cryst. (2005). A61, C49

Order-disorder, polytypes and twinning in the crystal structure of vurroite

D. Pinto, E. Bonaccorsi, E. Makovicky and T. Balic-Zunic

Acta Cryst. (2005). A61, C49

Simulation of a polytypic family from an incommensurately modulated member

A. Arakcheeva and G. Chapuis

Acta Cryst. (2005). A61, C50

Non-nucleoside inhibitors of NS5B polymerase from HCV, genotypes 1b and 2a

M. James, B. Biswal, M. Wang, M. Cherney, L. Chan, C. Yannopoulos, D. Bilimoria, O. Nicolas and J. Bedard

Acta Cryst. (2005). A61, C50

Crystal structures of SARS coronavirus proteins

Z. Rao

Acta Cryst. (2005). A61, C50

Structure, mechanism and specificity of FMDV 3C protease

S. Curry, J. Birtley, S. Knox, A. Jaulent, P. Brick and R. Leatherbarrow

Acta Cryst. (2005). A61, C50-C51

HIV reverse transcriptases: structural basis for inhibition and drug resistance

D. Stammers, A. Stamp, P. Chamberlain and J. Ren

Acta Cryst. (2005). A61, C51

Structure-based vaccine design of human rhinovirus: HIV chimeras as candidate AIDS vaccines

E. Arnold, Y. V. Frenkel, D. A. Oren, S. A. Hughes, D. A. Elsasser, A. D. Clark Jr, P. A. Velasco, J. Ding and G. F. Arnold

Acta Cryst. (2005). A61, C51

Transport out of the nucleus and beyond: molecular mechanisms

E. Conti, F. Bono, A. Cook, F. Glavan, E. Lorentzen, M. Jinek and J. Ebert

Acta Cryst. (2005). A61, C51

Cse1: the structure of an exportin in its closed, cytosolic state

A. Cook, E. Fernandez, D. Lindner, J. Ebert, G. Schlenstedt and E. Conti

Acta Cryst. (2005). A61, C51

Cracking of the targeting signal embedded in mitochondrial presequences

D. Kohda, T. Obita, M. Igura, T. Ose, T. Endo and K. Maenaka

Acta Cryst. (2005). A61, C51-C52

Vps29: a phosphoesterase fold that acts as an interaction scaffold in the assembly of retromer

B. M. Collins, C. F. Skinner, M. N. J. Seaman, P. R. Evans and D. J. Owen

Acta Cryst. (2005). A61, C52

Crystallization of molybdate-binding protein of Xanthomonas Citri

C. S. Perez, A. Balan, L. C. S. Ferreira, B. G. Guimaraes, J. F. Medrano and J. A. Barbosa

Acta Cryst. (2005). A61, C52

Understanding and using solution chemistry to direct crystal nucleation

R. Davey

Acta Cryst. (2005). A61, C52

Molecular tectonics: from tectons to networks

M. W. Hosseini

Acta Cryst. (2005). A61, C52-C53

Testing the reliability of the self-complementary noncovalent interactions: supramolecular implications and supramolecular design

C. Ruiz-Pérez

Acta Cryst. (2005). A61, C53

Recognition of weak interactions at the gas-crystal interface

A. Comotti, S. Bracco and R. Simonutti

Acta Cryst. (2005). A61, C53

Peptide-based organic microporous materials

C. H. Görbitz

Acta Cryst. (2005). A61, C53

Recent developments in protein structure analysis from powder diffraction data

R. B. Von Dreele

Acta Cryst. (2005). A61, C53

Molecular replacement with powder diffraction data

J. Wright, I. Margiolaki, G. Fox, A. Markvardsen and A. Fitch

Acta Cryst. (2005). A61, C54

Protein powder diffraction: why bother?

C. Gilmore and W. Dong

Acta Cryst. (2005). A61, C54

Development of powder diffraction methods for macromolecular crystallography

I. Margiolaki, J. Wright, S. Basso, A. Fitch, G. C. Fox, M. Schiltz, P. Pattison and R. Von Dreele

Acta Cryst. (2005). A61, C54

Protein measurements on a laboratory powder diffractometer

S. Prugovecki, D. Beckers, T. Degen and B. Prugovecki

Acta Cryst. (2005). A61, C54

Structural paths for the high-pressure phase transitions of AgI

M. Catti

Acta Cryst. (2005). A61, C54-C55

The fifth element in the periodic table, boron: do we know the ground state structure?

T. Ogitsui, G. Galli and F. Gygi

Acta Cryst. (2005). A61, C55

Oxides under pressure: from densified silica to the rheology of the Earth's mantle

S. Scandolo

Acta Cryst. (2005). A61, C55

Novel high-pressure phases: theory and experiment

A. R. Oganov, S. Ono, R. Martonak, A. Laio, P. Raiteri and M. Parrinello

Acta Cryst. (2005). A61, C55

MgSiO₃ post-perovskite at D'' conditions

R. M. Wentzcovitch, T. Tsuchiya and J. Tsuchiya

Acta Cryst. (2005). A61, C55

Crank - new methods in automated structure solution

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

Acta Cryst. (2005). A61, C55-C56

Parallel data processing for high throughput X-ray structure determination

G. Wolf, H. Axelrod, H. van den Bedem, H.-J. Chiu, M. D. Miller, C. L. Rife, Q. Xu and A. M. Deacon

Acta Cryst. (2005). A61, C56

Iterative model building and evaluation with statistical density modification

T. Terwilliger

Acta Cryst. (2005). A61, C56

Automated operation of protein crystallography beamlines at the SPring-8

M. Yamamoto, G. Ueno, R. Hirose, K. Ida and T. Kumasaka

Acta Cryst. (2005). A61, C56

Automated protein structure determination with BnP

W. Furey, L. Pasupulati, S. Potter, H. Xu, R. Miller and C. M. Weeks

Acta Cryst. (2005). A61, C56-C57

Integrated use of synchrotron and neutron diffraction to monitor residual stress evolution in welded aerospace structures

L. Edwards

Acta Cryst. (2005). A61, C57

Crystallographic texture of semi-finished products

H.-G. Brokmeier

Acta Cryst. (2005). A61, C57

Dynamic diffraction effects in X-ray and neutron stress analysis

I. C. Noyan, E. Ustundag, M. Daymond and H. F. Yan

Acta Cryst. (2005). A61, C57

Charge ordering and magnetic structure in Fe₃BO₅

P. Bordet and E. Suard

Acta Cryst. (2005). A61, C57

Determining Pb/Bi distributions using high-energy resonant scattering at K edges

P. L. Lee, Y. Zhang, S. D. Shastri, D. Shu, D.-Y. Chung, M. G. Kanatzidis and A. P. Wilkinson

Acta Cryst. (2005). A61, C58

Integrins, focal adhesions and all that

R. C. Liddington

Acta Cryst. (2005). A61, C58

The chaperone-usher pathway of Pilus Biogenesis: structural basis of the assembly process and of host recognition

G. Waksman

Acta Cryst. (2005). A61, C58

Structural relays in adhesion signaling

T. Izard

Acta Cryst. (2005). A61, C58

Complementing pathogens or structural insights into pathogen evasion of the complement system

S. M. Lea, P. Roversi, F. Cordes, B. Prosser and S. Johnson

Acta Cryst. (2005). A61, C58-C59

Factor XI structure reveals a novel receptor mediated activation pathway

J. Emsley, P. McEwan, E. Papagrigoriou and P. Walsh

Acta Cryst. (2005). A61, C59

Structural studies of the CLD from aggrecan

A. Lundell, A. Aspberg and D. Logan

Acta Cryst. (2005). A61, C59

Eukaryotic translesion synthesis DNA polymerases: structure and function

A. K. Aggarwal, D. T. Nair, J. Trincao, S. N. Uljon, R. E. Johnson, C. R. Escalante, T. A. Edwards, S. Prakash and L. Prakash

Acta Cryst. (2005). A61, C59

Mechanism for de novo RNA synthesis by T7 RNA polymerase

W. Yin and W. D. Kennedy

Acta Cryst. (2005). A61, C59

Structural basis for RNA-regulated gene expression

J. A. Doudna, I. J. MacRae and K. Zhou

Acta Cryst. (2005). A61, C59-C60

Structural basis for specific recognition of the UsnRNP m₃G-cap by snurportin1

R. Ficner, A. Strasser, A. Dickmanns and R. Lührmann

Acta Cryst. (2005). A61, C60

Structural basis for antigene and antisense duplexes with modified nucleotides

E. C. M. Juan, T. Kurihara, J. Kondo, T. Ito, Y. Ueno, A. Matsuda and A. Takénaka

Acta Cryst. (2005). A61, C60

Porosity in molecular crystals

L. J. Barbour, L. Dobrzanska and G. O. Lloyd

Acta Cryst. (2005). A61, C60

Exploring structures and structural phenomena: the derived crystal packing model

C. Gervais, M. Pauchet and G. Coquerel

Acta Cryst. (2005). A61, C60-C61

Crystal structure analysis and solid form selection in the pharmaceutical industry

A. Gillon

Acta Cryst. (2005). A61, C61

Different reasons for packing with Z'=2: 4-nitroimidazole derivatives

M. Kubicki

Acta Cryst. (2005). A61, C61

Directed assembly and covalent capture of supramolecular architectures in the solid state

L. R. MacGillivray, T. Friscic, D. B. Varshney, G. S. Papaefstathiou, T. D. Hamilton and Q. Chu

Acta Cryst. (2005). A61, C61

Time-resolved X-ray topography study on growth of 180° ferroelectric domains

Y. S. Chu, A. Tkachuk, A. Menzel and H. You

Acta Cryst. (2005). A61, C61

In-situ observation of surface kinetics during MBE growth using synchrotron X-ray diffraction

W. Braun

Acta Cryst. (2005). A61, C62

In-situ observation of elementary growth steps on a protein crystal, surface diffusion of protein molecules and dislocations inside a protein crystal

G. Sazaki, M. Okada, T. Matsui, H. Higuchi, T. Watanabe, K. Tsukamoto and K. Nakajima

Acta Cryst. (2005). A61, C62

Interface crystallography of a growing interface: KDP{101} and {100}

E. Vlieg and D. Kaminski

Acta Cryst. (2005). A61, C62

X-ray diffractometer for in-situ and real-time monitoring of MOCVD

A. Kharchenko, J. Bethke, J. Woitok, K. Lischka, K. Schmidegg, A. Bonanni, C. Simbrunner and H. Sitter

Acta Cryst. (2005). A61, C62

Synthesis of nano-polycrystalline diamond and related hard materials using multianvil apparatus

T. Irifune, H. Sumiya, H. Yusa and T. Inoue

Acta Cryst. (2005). A61, C62-C63

Combined diffraction and Raman studies on incommensurately modulated host-guest structures of elements

O. Degtyareva

Acta Cryst. (2005). A61, C63

High-pressure behavior of feldspathoids: the case of analcite

G. D. Gatta, F. Nestola and T. Boffa Ballaran

Acta Cryst. (2005). A61, C63

New high-pressure forms of simple salts - sulfates, formates, and acetates

D. Allan

Acta Cryst. (2005). A61, C63

Hydrogen storage in molecular compounds

W. Mao and H. Mao

Acta Cryst. (2005). A61, C63-C64

Microbeam diffraction of hierarchical nanocomposites

O. Paris, P. Fratzl, A. Gourrier, H. Gupta, W. Wagermaier, D. Loidl, H. Peterlik, M. Burghammer and C. Riekel

Acta Cryst. (2005). A61, C64

Engineered bone from bone marrow stromal cells: a structural study by an advanced X-ray microdiffraction technique

A. Cedola, M. Mastrogiacomo, C. Giannini, A. Guagliardi, V. Komlev, R. Cancedda, F. Rustichelli and S. Lagomarsino

Acta Cryst. (2005). A61, C64

Polychromatic microdiffracion measurements of mesoscale structure and dynamics

G. Ice and B. C. Larson

Acta Cryst. (2005). A61, C64

SR X-ray microdiffraction systems at SPring-8: present status and applications

Y. Kagoshima, T. Koyama, K. Fukuda, H. Takano, Y. Tsusaka and J. Matsui

Acta Cryst. (2005). A61, C64-C65

Hard X-ray nanoprobe with refractive X-ray lenses

C. Schroer, O. Kurapova, J. Patommel, P. Boye, J. Feldkamp, B. Lengeler, M. Burghammer, C. Riekel and L. Vincze

Acta Cryst. (2005). A61, C65

High-energy synchrotron radiation for charge density and materials science experiments

T. Lippmann

Acta Cryst. (2005). A61, C65

Charge density studies of ultra high resolution protein structures

B. Guillot, A. Lagoutte, C. Jelsch, A. Podjarny and C. Lecomte

Acta Cryst. (2005). A61, C65

Hypervalency - experimental charge density uncovers a false concept

D. Stalke, D. Leusser, N. Kocher and J. Henn

Acta Cryst. (2005). A61, C65

Measurements of electron densities in solids

J.-M. Zuo

Acta Cryst. (2005). A61, C65-C66

Orbital-wise decomposition of magnetic Compton profiles and spin moments in UGe2

Y. Sakurai, M. Itou, E. Yamamoto, Y. Haga and Y. Onuki

Acta Cryst. (2005). A61, C66

Allostery and heteroinhibition of human thymidylate synthase

L. Lebioda, L. Lovelace and S. H. Berger

Acta Cryst. (2005). A61, C66

Structural basis for substrate channelling of a fatty acid -oxidation multienzyme complex

M. Ishikawa, D. Tsuchiya, T. Oyama, Y. Tsunaka and K. Morikawa

Acta Cryst. (2005). A61, C66

Structural biology of cytochromes P450

P. A. Williams, J. Cosme, D. M. Vinkovic, A. Ward, H. Angove, P. Day and H. Jhoti

Acta Cryst. (2005). A61, C66-C67

The structure of yeast phosphofructokinase 1

W. Rypniewski, K. Banaszak, I. Attinost and G. Kopperschlaeger

Acta Cryst. (2005). A61, C67

Molecular basis for MSD and catalytic mechanism of the human formylglycine generating enzyme

M. G. Rudolph, T. Dierks, A. Dickmanns, B. Schmidt, K. von Figura and R. Ficner

Acta Cryst. (2005). A61, C67

Estimating protein fold using wide-angle solution scattering data

R. F. Fischetti, L. Makowski and D. J. Rodi

Acta Cryst. (2005). A61, C67

Cryo-electron microscopy of the ribosome: methods of fitting, and inference of dynamics

J. Frank, H. Gao, W. Li and J. Sengupta

Acta Cryst. (2005). A61, C67

Structure of the acrosomal bundle, a biological machine, at 9.5 Å resolution

M. Schmid, M. B. Sherman, P. Matsudaira and W. Chiu

Acta Cryst. (2005). A61, C67-C68

Beyond the structure: how to deal with structural disorder

C. Luchinat

Acta Cryst. (2005). A61, C68

The organization of the organic structural framework in the enamel biomineralization processes

G. Falini, S. Fermani, C. Du and J. Moradian-Oldak

Acta Cryst. (2005). A61, C68

High connectivity framework polymers: a new co-ordination chemistry

M. Schröder

Acta Cryst. (2005). A61, C68

Crystals and nanostructures: a unique class of tunable inorganic-organic frameworks

J. Li and X. Huang

Acta Cryst. (2005). A61, C68-C69

New molecular architectures of copper imidazolates and triazolates

X.-M. Chen, J.-P. Zhang and X.-C. Huang

Acta Cryst. (2005). A61, C69

Influence of the substituent in the crystal packing of copper(II)-malonates

J. Pasán, J. Sanchiz, C. Ruiz-Pérez, F. Lloret and M. Julve

Acta Cryst. (2005). A61, C69

Hydrogen storage in metal-organic frameworks

O. Yaghi

Acta Cryst. (2005). A61, C69

Electrochemical materials - structure in action

K. Edström, S. Nordlinder, I. Baglien and T. Gustafsson

Acta Cryst. (2005). A61, C69-C70

PDF and NMR study of ordering in the positive electrode material Li(NiMn)_0.5O₂

J. Bréger, N. Dupré, P. J. Chupas, P. L. Lee, T. Proffen, J. B. Parise and C. P. Grey

Acta Cryst. (2005). A61, C70

Hydrogen storage in light complex hydrides - structural studies

B. C. Hauback and H. W. Brinks

Acta Cryst. (2005). A61, C70

Structural analysis of La₂Mo₂O₉-based fast oxide-ion conductors

P. Lacorre, G. Corbel, Y. Laligant, F. Goutenoire and E. Suard

Acta Cryst. (2005). A61, C70

Interstitial oxygen in oxy-apatites

M. A. G. Aranda, L. Leon-Reina and E. R. Losilla

Acta Cryst. (2005). A61, C70

Phase transformation in FeO under deep mantle conditions

T. Yagi and N. Miyajima

Acta Cryst. (2005). A61, C70-C71

Compressibility and structural evolution of post-perovskite phase under pressure

T. S. Duffy, A. Kubo, S. R. Shieh, G. Shen and V. B. Prakapenka

Acta Cryst. (2005). A61, C71

Refinement of high pressure metrology to 150 GPa

A. Dewaele, P. Loubeyre and M. Mézouar

Acta Cryst. (2005). A61, C71

Shock-induced superheating-melting and geophysical Implications

S.-N. Luo

Acta Cryst. (2005). A61, C71

Predicting crystal structures of new high-pressure mineral phases

C. W. Glass, A. R. Oganov and N. Hansen

Acta Cryst. (2005). A61, C71-C72

Laser-plasma X-ray sources and their applications

D. Boschetto, K. T. Phuoc and A. Rousse

Acta Cryst. (2005). A61, C72

How do signaling photoreceptors respond to light?

K. Moffat, S. Anderson, S. Rajagopal, V. Srajer, R. Pahl, H. Ihee, M. Schmidt and J. Key

Acta Cryst. (2005). A61, C72

Femtosecond electron diffraction: making the "molecular movie"

R. J. D. Miller, J. R. Dwyer, C. T. Hebeisen, R. E. Jordan, M. Harb and R. Ernstorfer

Acta Cryst. (2005). A61, C72

The mechanism of coherent phonon generation

X. Wang, H. Park, S. Nie, R. Clinite and J. Cao

Acta Cryst. (2005). A61, C72-C73

Time-resolved diffraction studies of the combustion synthesis of NiAl/TiC composite

C. Curfs, A. E. Terry, G. B. M. Vaughan, J. Turrillas, D. P. Riley, E. H. Kisi, M. A. Rodriguez and Å. Kvick

Acta Cryst. (2005). A61, C73

Hydrophobic polyelectrolytes: combined small-angle neutron and X-ray scattering studies

M. Rawiso, J. Combet and F. Boué

Acta Cryst. (2005). A61, C73

Utility of absolute calibration in SANS and SAXS studies of polymers and colloids

G. D. Wignall

Acta Cryst. (2005). A61, C73

The structure of DNA+cationic liposome aggregates studied using SAXS and SANS

D. Uhríková, M. Hanulová, N. Kucerka, A. Islamov, S. S. Funari and P. Balgavý

Acta Cryst. (2005). A61, C73-C74

The subunit arrangement of the type I restriction modification enzyme M.AhdI

P. Callow, G. Kneale and P. Timmins

Acta Cryst. (2005). A61, C74

Nanostructure and ordering in magnetic liquids probed by SAXS and SANS

A. Hoell, A. Heinemann, M. Kammel and A. Wiedenmann

Acta Cryst. (2005). A61, C75

Intermediate filaments: from the elementary dimer structure to the complete filament architecture

S. V. Strelkov, L. Kapinos, S. Ivaninskii, L. Kreplak, H. Herrmann and U. Aebi

Acta Cryst. (2005). A61, C75

Structural basis of actin filament nucleation and processive capping by a formin homology 2 domain

D. R. Tomchick, T. Otomo, C. Otomo, S. C. Panchal, M. Machius and M. K. Rosen

Acta Cryst. (2005). A61, C75

Active site coupling in multienzyme complexes

R. Frank, C. Titman, V. Pratap, R. Perham and B. Luisi

Acta Cryst. (2005). A61, C75

The structure of the RC-LH1 'core' complex from Rhodopsuedomonas Palustris

R. J. Cogdell, A. T. Gardiner, J. Southall, C. J. Law, T. D. Howard, A. W. Roszak and N. W. Isaacs

Acta Cryst. (2005). A61, C75-C76

3D rearrangement of proteins in the tail of bacteriophage T4 on infection of its host

M. G. Rossmann, P. G. Leiman, P. R. Chipman, V. A. Kostyuchenko, S. Kanamaru, F. Arisaka and V. V. Mesyanzhinov

Acta Cryst. (2005). A61, C76

An archaeometric study of lead-white pigment and its production using neutron diffraction

D. Visser, W. Kockelmann and L. Carlile

Acta Cryst. (2005). A61, C76

Powder diffraction in art and archaeology

E. Dooryhée, P. Martinetto, M. Anne, J.-L. Hodeau, M. S. del Rio and P. Walter

Acta Cryst. (2005). A61, C76

X-ray powder microdiffraction: useful tool in investigation of wall painting layers

V. Simova, P. Bezdicka, J. Hradilova, D. Hradil, E. Kotulanova and T. Grygar

Acta Cryst. (2005). A61, C76-C77

Colouring and opacifying agents in Roman glass: a multi-technique analytical approach

R. Arletti, S. Quartieri, G. Sabatino, M. Triscari and G. Vezzalini

Acta Cryst. (2005). A61, C77

Maya Blue: a long lasting mystery revealed

G. Chiari and R. Giustetto

Acta Cryst. (2005). A61, C77

Microcrystal X-ray diffraction and MAS NMR studies of zeolties

R. E. Morris

Acta Cryst. (2005). A61, C77

Combined X-ray and neutron charge density studies on C-H activation catalysts

W. Scherer, B. Pedersen and G. S. McGrady

Acta Cryst. (2005). A61, C77

Structure and dynamics of co-ordination compounds by neutron scattering

A. Albinati

Acta Cryst. (2005). A61, C77-C78

Location of a 4-coordinate H atom via neutron diffraction

R. Bau, M. Yousufuddin, Z. Hou, O. Tardif, J. Baldamus, S. A. Mason and G. J. McIntyre

Acta Cryst. (2005). A61, C78

Neutron cryocrystallography of proteins

M. P. Blakeley, A. J. Kalb (Gilboa), J. R. Helliwell and D. A. A. Myles

Acta Cryst. (2005). A61, C78

Subgrain size-distributions, dislocation structures, stacking- and twin faults and vacancy concentrations in crystalline materials determined by X-ray line profile analysis

T. Ungár

Acta Cryst. (2005). A61, C78

Microstructural studies of nanocrystalline materials using WPPM

M. Leoni

Acta Cryst. (2005). A61, C79

Structural studies of nanocrystalline metals

R. Kuzel

Acta Cryst. (2005). A61, C79

Size anisotropy and lognormal size distribution in the powder diffraction whole pattern fitting

N. Popa and D. Balzar

Acta Cryst. (2005). A61, C79

Development of a NIST SRM 1979 nano-crystallite size standard for broadening of X-ray line profiles

N. Armstrong, J. P. Cline, J. Ritter and J. Bonevich

Acta Cryst. (2005). A61, C79

Single crystal studies of the incommensurate composite structure of Rb-IV

L. F. Lundegaard, M. McMahon, C. Hejny, S. Falconi and R. Nelmes

Acta Cryst. (2005). A61, C79-C80

Structural and vibrational studies of solid ammonia to 120 GPa

F. Datchi, S. Ninet, M. Gauthier and A. M. Saitta

Acta Cryst. (2005). A61, C80

Phase transitions in transition metal monooxides: interplay between structural, magnetic, and electronic properties

L. S. Dubrovinsky, I. Y. Kantor, A. P. Kantor, C. McCammon, N. A. Dubrovinskaya, I. N. Goncharenko and W. Crichton

Acta Cryst. (2005). A61, C80

Successive alternation of the propagation direction of the inner shell ordering by pressure in a Cd-Yb 1/1 approximant crystal

T. Watanuki, A. Machida, T. Ikeda, K. Aoki, H. Kaneko, T. Shobu, T. J. Sato and A. P. Tsai

Acta Cryst. (2005). A61, C80

Combining Laue diffraction with white-beam single-crystal EXAFS

P. Dera

Acta Cryst. (2005). A61, C81

New likelihood-based phasing methods in Phaser

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

Acta Cryst. (2005). A61, C81

Broken symmetries in macromolecular crystallography

M. Schiltz and G. Bricogne

Acta Cryst. (2005). A61, C81

Statistical direct methods of phase determination

H. Xu, C. M. Weeks and H. A. Hauptman

Acta Cryst. (2005). A61, C81

Direct use of SAD phase information in automated model building and refinement

P. Skubák and N. S. Pannu

Acta Cryst. (2005). A61, C81-C82

Hybrid programming in crystallography: Phenix.refine and Phenix.hyss

R. W. Grosse-Kunstleve, P. V. Afonine and P. D. Adams

Acta Cryst. (2005). A61, C82

Quantum mechanical basis of conceptual chemistry

R. F. W. Bader

Acta Cryst. (2005). A61, C82

Construction or refinement of approximate reduced density matrices

J.-M. Gillet, P. Becker, B. Courcot and S. Ragot

Acta Cryst. (2005). A61, C82

Atomic and bond topological properties of strained carbon ring and cage systems

P. Luger

Acta Cryst. (2005). A61, C82

Chemical bonding in hypervalent silicon and germanium compounds

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

Acta Cryst. (2005). A61, C83

Ribitol and xylitol: explaining the differences in physical chemical properties

A. Ø. Madsen and S. Larsen

Acta Cryst. (2005). A61, C83

How to deal with pathological crystals of macromolecules

A. Wlodawer, I. Botos, N. La Ronde-Le Blanc and Z. Dauter

Acta Cryst. (2005). A61, C83

Phasing at resolution higher than the experimental one

R. Caliandro, B. Carrozzini, G. L. Cascarano, L. De Caro, C. Giacovazzo and D. Siliqi

Acta Cryst. (2005). A61, C83

A challenging 90 residue problem for X-ray crystallography: the ²F1-³F1 module pair of human fibronectin

E. Rudiño-Piñera, J. R. Potts, R. B. G. Ravelli, G. Sheldrick and E. F. Garman

Acta Cryst. (2005). A61, C83-C84

NCS and normal modes ensembles solve difficult MR problem

S. Trapani and J. Navaza

Acta Cryst. (2005). A61, C84

Disorder and twinning: new equations and applications to the structure determination of proteins from the carboxysome shell

T. Yeates, C. Kerfeld, M. Sawaya, S. Tanaka, M. Beeby and M. Phillips

Acta Cryst. (2005). A61, C84

Protein-protein complexes in cell adhesion

E. Y. Jones, A. R. Aricescu, W.-C. Hon, C. Siebold and W. Lu

Acta Cryst. (2005). A61, C84

Activating the molecule of mass destruction

C. P. Hill

Acta Cryst. (2005). A61, C84

Structure and mechanism of RecBCD

D. B. Wigley

Acta Cryst. (2005). A61, C84

Molecular basis for the allosteric inhibition of JNKs by the peptide fragment from the scaffolding protein JIP1

Y.-S. Heo, S.-K. Kim, C. I. Seo, Y. K. Kim, B.-J. Sung, H. S. Lee, J. I. Lee, S.-Y. Park, J. H. Kim, K. Y. Hwang, Y.-L. Hyun, Y. H. Jeon, S. Ro, Y. Kwon, J. M. Cho and T. G. Lee

Acta Cryst. (2005). A61, C85

Structural and functional insight into cell-defending non-specific nucleases

H. S. Yuan, K.-C. Hsia, L. G. Doudeva, H. Huang, W.-Z. Yang and W.-C. Chu

Acta Cryst. (2005). A61, C85

Self-dual tilings and interpenetrating periodic nets

M. O'Keeffe

Acta Cryst. (2005). A61, C85

Sphere packings with exceptional properties

E. Koch

Acta Cryst. (2005). A61, C85

Knotted nets and weavings - from 2D hyperbolic to 3D Euclidean patterns

S. Hyde, S. J. Ramsden and V. Robins

Acta Cryst. (2005). A61, C85-C86

The nomenclature of interpenetration

S. R. Batten

Acta Cryst. (2005). A61, C86

Computer analysis and classification of entanglements in crystal structures

V. A. Blatov, L. Carlucci, G. Ciani, D. M. Proserpio and I. A. Baburin

Acta Cryst. (2005). A61, C86

Simultaneous local and long range structure determination: application to in-situ studies

P. J. Chupas and C. P. Grey

Acta Cryst. (2005). A61, C86

Qualitative and quantitative applications of non-ambient X-ray diffractometry

R. Suryanarayanan

Acta Cryst. (2005). A61, C86

In-situ high temperature microstructural transformations of oxide epitaxial thin films

R. Guinebretière, R. Bachelet, A. Boulle and P. Thomas

Acta Cryst. (2005). A61, C87

Anomalous thermal expansion in cyanide-bridged molecular framework materials

K. W. Chapman and C. J. Kepert

Acta Cryst. (2005). A61, C87

In situ synchrotron XRD studies of combustion processes

G. Artioli

Acta Cryst. (2005). A61, C87

Intermediate range chemical ordering in H₂O, Si and Ge under pressure

C. J. Benmore, R. T. Hart, Q. Mei, D. L. Price, J. Yarger, C. A. Tulk and D. D. Klug

Acta Cryst. (2005). A61, C87

Evolution of the structure of amorphous ice - from LDA through HDA to VHDA

R. Martonak, D. Donadio and M. Parrinello

Acta Cryst. (2005). A61, C87-C88

Structure of high-pressure liquids: X-ray diffraction and RMC modelling

S. Kohara, Y. Akahama, Y. Ohishi, L. Temleitner, L. Pusztai, M. Takata and H. Kawamura

Acta Cryst. (2005). A61, C88

X-ray diffraction study in liquid Cs up to 9.8 GPa

S. Falconi, L. F. Lundegaard, C. Hejny and M. McMahon

Acta Cryst. (2005). A61, C88

CdSb under pressure: compound decomposition, new phase formation and amorphization

V. F. Degtyareva, O. Degtyareva and R. J. Hemley

Acta Cryst. (2005). A61, C88

Electron diffraction from a beam of laser-aligned proteins: progress report

U. Weierstall, D. Starodub, J. C. H. Spence and B. Doak

Acta Cryst. (2005). A61, C88-C89

Methods development and software engineering for 2D electron crystallography

A. Philippsen, A. Schenk, G. Signorell, W. Kukulski and A. Engel

Acta Cryst. (2005). A61, C89

Atomic model of microsomal glutathione transferase 1 from electron crystallography

P. J. Holm, P. Bhakat, C. Jegerschöld, N. Gyobu, K. Mitsuoka, Y. Fujiyoshi, R. Morgenstern and H. Hebert

Acta Cryst. (2005). A61, C89

Structural features of cyclodextrin inclusion complexes

A. Kawaguchi and J. Kawasaki

Acta Cryst. (2005). A61, C89

In situ X-ray scattering studies of nanomaterial growth dynamics in aerosols

G. Beaucage, H. K. Kammler, R. Jossen, S. E. Pratsinis, T. Narayanan, J. Ilavsky, P. Jemian and D. Londono

Acta Cryst. (2005). A61, C89

Dynamics of amphiphilic systems probed by highly time-resolved SAS experiments

M. Gradzielski, I. Grillo and T. Narayanan

Acta Cryst. (2005). A61, C89-C90

Cytochrome C and TS folding probed by submillisecond continuous-flow SAXS

E. Kondrashkina, O. Bilsel, C. Kayatekin, T. Irving and C. R. Matthews

Acta Cryst. (2005). A61, C90

Spin chirality in non-centrosymmetric MnSi as probed by polarised neutrons

B. Roessli

Acta Cryst. (2005). A61, C90

Near field heterodyne X-ray speckles

M. Giglio, R. Cerbino, M. A. C. Potenza and L. Peverini

Acta Cryst. (2005). A61, C91

Structural basis of HIV-1 neutralization: implications for vaccine design

I. A. Wilson

Acta Cryst. (2005). A61, C91

Structural basis of ligand recognition by the collectins

A. Shrive, C. Martin, I. Burns, J. Paterson, J. Martin, U. Kishore, K. Reid and T. Greenhough

Acta Cryst. (2005). A61, C91

Do sharks have a new antibody lineage?

V. Streltsov and S. Nuttall

Acta Cryst. (2005). A61, C91

The structure of CD3 in complex with the therapeutic antibody, OKT3

M. Dunstone, L. Kjer-Nielsen, L. Kostenko, L. Ely, T. Beddoe, N. Mifsud, A. Purcell, A. Brooks, J. McCluskey and J. Rossjohn

Acta Cryst. (2005). A61, C91-C92

Structural insights into the central complement component C3

P. Gros, B. J. C. Janssen, E. G. Huizinga, H. C. A. Raaijmakers, A. Roos and M. R. Daha

Acta Cryst. (2005). A61, C92

Structural studies on carboxysomes

C. A. Kerfeld, M. R. Sawaya, S. Tanaka, M. Beeby, J. Laidman and T. O. Yeates

Acta Cryst. (2005). A61, C92

Structure and function of RNase E and the RNA degradosome assembly

M. J. Marcaida, A. Callaghan, W. Scott, M. Symmons, V. Chandran, K. McDowall, J. Stead and B. Luisi

Acta Cryst. (2005). A61, C92

Crystal structures of proteins involved in membrane traffic

S. Wakatsuki

Acta Cryst. (2005). A61, C92-C93

The structure of a mitochondrial peptidasome

T. Eneqvist and K. A. Johnson

Acta Cryst. (2005). A61, C93

Molecular machines and tropical pathogens

W. Hol, J. Deng, J. Abendroth, D. Mitchell, M. Yanez, C. Roach, B. Krumm and S. Turley

Acta Cryst. (2005). A61, C93

New synthetic approaches towards supramolecular multimetallic systems with interesting magnetic properties

M. Andruh

Acta Cryst. (2005). A61, C93

High spin and photomagnetic high spin molecules

V. Marvaud

Acta Cryst. (2005). A61, C93

Crystal structure-mobility correlation in TTF based organic field-effect transistors

C. Rovira, M. Mas-Torrent, P. Hadley, S. T. Bromley and J. Veciana

Acta Cryst. (2005). A61, C94

Dual-function molecular crystal with [Fe^III(C₂O₄)Cl₂]^- chain anion

B. Zhang, Z. Wang, D. Zhu and H. Kobayashi

Acta Cryst. (2005). A61, C94

Crystal engineering on organic pigments

M. U. Schmidt

Acta Cryst. (2005). A61, C94

Static and dynamic pair correlation functions determined by neutron scattering and inelastic correction to total scattering

T. Egami

Acta Cryst. (2005). A61, C94

The local structure of ice VII determined by neutron total scattering

M. Guthrie, C. L. Bull, R. J. Nelmes, J. S. Loveday, T. Strässle and S. Klotz

Acta Cryst. (2005). A61, C94-C95

Medium range ordering of local polarizations in Pb(Mg_1/3Nb_2/3)O₃

I.-K. Jeong, T. W. Darling, J. K. Lee, T. Proffen, R. H. Heffner, J. S. Park, K. S. Hong, W. Dmowski and T. Egami

Acta Cryst. (2005). A61, C95

Getting the most from total scattering

M. Tucker, M. Dove, D. Keen, A. Goodwin, S. Wells and Q. Hui

Acta Cryst. (2005). A61, C95

Characterisation of nanoparticles

R. B. Neder and V. I. Korsunskiy

Acta Cryst. (2005). A61, C95

Electromagnetic wave tunneling through a barrier with periodical structure

M. A. Navasardyan and A. H. Gevorgyan

Acta Cryst. (2005). A61, C95-C96

Holographic methods for surface crystallography

D. Saldin

Acta Cryst. (2005). A61, C96

X-ray diffraction from semiconductor nanostructures

J. Stangl, V. Holy, A. Hesse, T. Schülli and G. Bauer

Acta Cryst. (2005). A61, C96

Interaction of NO and CO with surface of Pd nanoclusters studied by XRD

Z. Kaszkur

Acta Cryst. (2005). A61, C96

Three dimensional charge density measurements at surfaces

R. Feidenhans'l, O. Bunk, J. Ciston and L. D. Marks

Acta Cryst. (2005). A61, C96

Assessing lattice energy minimisation for crystal structure prediction

G. M. Day

Acta Cryst. (2005). A61, C96-C97

A hybrid method for the accurate energy ranking of molecular crystals

M. A. Neumann and M.-A. Perrin

Acta Cryst. (2005). A61, C97

Exploring polymorphism: the case of benzene

P. Raiteri, R. Martonàk and M. Parrinello

Acta Cryst. (2005). A61, C97

Progress in crystal structure prediction for diastereomeric salts

P. G. Karamertzanis and S. L. Price

Acta Cryst. (2005). A61, C97

Inorganic structure prediction with GRINSP

A. Le Bail

Acta Cryst. (2005). A61, C97-C98

Prospects for neutron diffraction under extreme pressure conditions

C. A. Tulk, D. Locke, J. Parise, J. Xu, G. E. Ice, I. Swainson, L. Cranswick, R. Hemley and H.-K. Mao

Acta Cryst. (2005). A61, C98

ISIS crystallography on TS-II: what can we do with 60 kW?

P. G. Radaelli

Acta Cryst. (2005). A61, C98

Hydrogen and hydration sensitive structural biology

N. Niimura

Acta Cryst. (2005). A61, C98

Shaping the future of neutron powder diffraction

T. Kamiyama

Acta Cryst. (2005). A61, C98

Neutron protein crystallography (nPX) development: higher molecular weight capability

J. R. Helliwell, H. U. Ahmed, M. P. Blakeley and J. Habash

Acta Cryst. (2005). A61, C99

Nucleosome core and compact nucleosome array structures

T. Richmond, C. Davey and T. Schalch

Acta Cryst. (2005). A61, C99

Structural view of the clamp-loading mechanism onto DNA

K. Morikawa, T. Miyata, H. Suzuki, T. Oyama, K. Mayanagi and Y. Ishino

Acta Cryst. (2005). A61, C99

X-ray crystal structures of the E. coli ribosome

J. H. D. Cate, B. S. Schuwirth, M. Borovinskaya and C. Hau

Acta Cryst. (2005). A61, C99

Structural analysis of the L7/12 ribosomal stalk

M. C. Wahl, M. Diaconu, U. Kothe, F. Schlünzen, N. Fischer, J. Harms, A. G. Tonevitski, H. Stark and M. V. Rodnina

Acta Cryst. (2005). A61, C99-C100

Ribosomal crystallography reveals co-translational trafficking by eubacterial trigger factor

D. Baram, E. Pyetan, A. Sittner, T. Auerbach, H. Rozenberg and A. Yonath

Acta Cryst. (2005). A61, C100

NMR and PXRD analysis of the structure of a new hydrous layer silicate

H. Gies and X. Wang

Acta Cryst. (2005). A61, C100

Adventures in solving structures of inorganic compounds using powder diffraction data

J. A. Kaduk

Acta Cryst. (2005). A61, C100

New cathodes for solid oxide fuel cells studied by powder diffraction: the system (A_1-xA'_x)FeO₃

K. Vidal, L. M. Rodríguez-Martínez, M. L. Nó, T. Rojo, A. Laresgoiti and M. I. Arriortua

Acta Cryst. (2005). A61, C100-C101

Crystal structure of the superconducting layered cobaltite Na_xCoO₂.yD₂O

D. N. Argyriou, P. G. Radaelli, C. J. Milne, N. Aliouane, L. C. Chapon, A. Chemseddine, J. Veira, S. Cox, N. D. Mathur and P. A. Midgley

Acta Cryst. (2005). A61, C101

Structural studies of the A₃CoNb₂O₉ '1:2' ordered perovskites (A = Ca²⁺, Sr²⁺, Ba²⁺)

V. P. Ting, Y. Liu, L. Norén, R. L. Withers, D. J. Goossens and C. Ferraris

Acta Cryst. (2005). A61, C101

Structural diversity and properties of oxydiacetate and thiodiacetate Mn complexes

A. Galindo

Acta Cryst. (2005). A61, C101

Structure and sense of enantioselection of rhodium complexes of P-chiral diphosphines

T. Imamoto

Acta Cryst. (2005). A61, C101

Understanding stereoselective atom-transfer reactions of chiral ruthenium complexes

A. Mezzetti

Acta Cryst. (2005). A61, C102

14-Electron metal complexes stabilized by M³-H₂C agostic interactions

W. Baratta, C. Mealli, E. Herdtweck, A. Ienco, S. A. Mason, P. Rigo and S. Stoccoro

Acta Cryst. (2005). A61, C102

Asymmetric hydrogenation: novel Rh(I) catalysts and predictive DFT calculations

G. J. Gainsford, A. Falshaw, C. Lensink and S. White

Acta Cryst. (2005). A61, C102

Investigating fast solid state reactions with time-resolved constant wavelength neutron powder diffraction at D20

T. Hansen

Acta Cryst. (2005). A61, C102

Time-resolved studies on materials using synchrotron radiation at the ESRF

Å. Kvick

Acta Cryst. (2005). A61, C102-C103

In-situ X-ray diffraction studies into pressure acid leaching of lateritic ores

N. V. Y. Scarlett, I. Madsen and B. Whittington

Acta Cryst. (2005). A61, C103

In-situ measurement of cation ordering in electroceramics

R. Ibberson, P. Mallinson, J. Claridge and M. Rosseinsky

Acta Cryst. (2005). A61, C103

Phase transitions in metal hydrides by in-situ synchrotron powder diffraction with high time-resolution

R. Cerny and J.-M. Joubert

Acta Cryst. (2005). A61, C103

Quantitive morphological characterization of nanostructure arrays by scanning probe microscopy

C. Teichert

Acta Cryst. (2005). A61, C103-C104

Ripple structure of ion beam induced Si wafers

J. Grenzer, U. Pietsch, S. Hazra, T. K. Chini and M. K. Sanyal

Acta Cryst. (2005). A61, C104

Direct observation of a H₂ molecule swallowed by open-mouthed C₆₀

H. Sawa, Y. Murata, M. Murata and K. Komatsu

Acta Cryst. (2005). A61, C104

Anomalous X-ray scattering methods for structure investigations of semiconductor nanostructures

V. Holý, J. Stangl, G. Bauer, T. Schülli and T. H. Metzger

Acta Cryst. (2005). A61, C104

Magnetic imaging of biquadratic coupling in ferromagnetic bilayers

G. Srajer, D. Haskel, J. C. Lang, C. K. Stevenson, Y. Choi, J. S. Jiang and S. D. Bader

Acta Cryst. (2005). A61, C104-C105

Towards the routine application of computing system Jana2000

M. Dusek and V. Petricek

Acta Cryst. (2005). A61, C105

Modulation functions of aperiodic crystals determined by the maximum entropy method

S. van Smaalen

Acta Cryst. (2005). A61, C105

Ab initio solution of incommensurately modulated structures by charge flipping

L. Palatinus

Acta Cryst. (2005). A61, C105

Pyrrhotites revisited in superspace with ab-initio calculations insights

Z. Izaola, L. Elcoro, S. Gonzalez, A. García and J. M. Perez-Mato

Acta Cryst. (2005). A61, C105

New tool based on the superspace concept to discover structure relations

I. Orlov and G. Chapuis

Acta Cryst. (2005). A61, C106

Analysis of small-angle scattering data from block copolymer micelles using models based on Monte Carlo simulations

J. S. Pedersen

Acta Cryst. (2005). A61, C106

Theoretical treatment and practical aspects of systems with preferred orientation

C. Burger, H. Zhou, B. S. Hsiao and B. Chu

Acta Cryst. (2005). A61, C106

Structural biology studies coupling SAXS with crystallography and NMR

P. Vachette, D. Durand, S. Raibaud, F. Dardel, V. Dubosclard, F. Fieschi and E. Pebay-Peyroula

Acta Cryst. (2005). A61, C106

Methods for quaternary and domain structure analysis by small angle scattering

M. Petoukhov and D. Svergun

Acta Cryst. (2005). A61, C107

The long-wavelength limit of the structure factor of mixed metaphosphate glasses

R. Kranold, G. Walter and U. Hoppe

Acta Cryst. (2005). A61, C108

AChBP structures for understanding ligand binding in nicotinic receptors

T. K. Sixma, P. H Celie, R. Klaassen, P. van Nierop, S. E. van Rossum-Fikkert and A. B. Smit

Acta Cryst. (2005). A61, C108

Classical and non-classical structure-based drug design

J. W. Becker

Acta Cryst. (2005). A61, C108

Structure based drug design of novel inhibitors of cGMP phosphodiesterase, PDE5

C. Phillips and D. G. Brown

Acta Cryst. (2005). A61, C108-C109

Structure-guided drug discovery for protein kinases using fragment-based lead identification/lead optimization

S. K. Burley

Acta Cryst. (2005). A61, C109

Structural basis of multi-functional lipocalin-type prostaglandin D₂ synthase

M. Miyano, H. Ago, K. Aritake, D. Irikura, T. Kumasaka, T. Inoue, M. Yamamoto, Y. Urade and O. Hayaishi

Acta Cryst. (2005). A61, C109

CIF2CML - automatic processing of chemical crystallography in XML/CML

P. Murray-Rust and S. Tyrrell

Acta Cryst. (2005). A61, C109

The role of data ontologies in CIF deposition and access

S. Hall, N. Spadaccini and J. Westbrook

Acta Cryst. (2005). A61, C109

CIFFOLD: managing long lines in CIF

K. Mitev, G. Todorov and H. J. Bernstein

Acta Cryst. (2005). A61, C110

A relational database approach to report generation

J. Kaercher, A. Leonard and M. Ruf

Acta Cryst. (2005). A61, C110

Structure integration with function, taxonomy and sequences (SIFTS)

G. J. Swaminathan, S. Velankar, P. McNeil, A. Suarez, D. Barrell, J. Jacobsen and K. Henrick

Acta Cryst. (2005). A61, C110

Mechanically induced reactivity of molecular crystals: chemistry (almost) without solvents

F. Grepioni, M. Curzi, M. Lusi and D. Braga

Acta Cryst. (2005). A61, C110

Solid-solid reactions of xanthenols with unsaturated hydrocarbons

L. R. Nassimbeni, M. R. Caira, E. Curtis, H. Su and B. Taljaard

Acta Cryst. (2005). A61, C110-C111

Structural and thermochemical studies of lattice inclusion hosts

A. Nangia

Acta Cryst. (2005). A61, C111

Photochemical reactions in inclusion compounds

T. Lavy and M. Kaftory

Acta Cryst. (2005). A61, C111

Confinement of gases and polymers in van der Waals crystals

P. Sozzani

Acta Cryst. (2005). A61, C111

Homo- and heterochirality in crystal

R. G. Kostyanovsky

Acta Cryst. (2005). A61, C111-C112

Electronic excitations: what inelastic X-ray scattering can reveal

W. Schuelke

Acta Cryst. (2005). A61, C112

Theory and calculations of inelastic X-ray scattering

J. A. Soininen

Acta Cryst. (2005). A61, C112

Across the Mott gap: electronic excitations in transition metal oxides

J. P. Hill

Acta Cryst. (2005). A61, C112

Magnetic inelastic X-ray scattering as a probe of electronic excitations in correlated electron materials

P. A. Montano, Y. Li, J. F. Mitchell, B. Barbiellini, P. E. Mijnarends, S. Kaprzyk and A. Bansil

Acta Cryst. (2005). A61, C112

Correlations in inelastic scattering and plasmon filtered imaging

T. A. Colson, A. F. Moodie and H. J. Whitfield

Acta Cryst. (2005). A61, C113

Neutron reflection from complex layers adsorbed at the solid/aqueous interface

R. K. Thomas

Acta Cryst. (2005). A61, C113

Self assembled thiols monolayers on Au(111) surfaces: structure defects and dynamics

R. C. Salvarezza

Acta Cryst. (2005). A61, C113

Fluctuations of a single floating lipid bilayer: a specular and off-specular reflectivity study

T. Charitat, J. Daillant, E. Bellet-Amalric, A. Braslau, G. Fragneto, F. Graner, S. Mora, F. Rieutord and B. Stidder

Acta Cryst. (2005). A61, C113

The new distributions of water molecules at Ni(111)-2x2-O and Cu(111) electrode interfaces

M. Ito and M. Nakamura

Acta Cryst. (2005). A61, C113-C114

Structural dynamics of the competing forces of light and matter

J. W. Andreasen, D. W. Breiby, S. R. Hansen, P. S. Ramanujam, M. Drews and M. M. Nielsen

Acta Cryst. (2005). A61, C114

Cluster analysis in crystallography

G. Barr, W. Dong and C. Gilmore

Acta Cryst. (2005). A61, C114

Crystal structures from powder X-ray diffraction using genetic algorithms

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

Acta Cryst. (2005). A61, C114

Powders, prediction and epitaxy: applications of differential evolution

C. Seaton

Acta Cryst. (2005). A61, C114-C115

Refinement when amplitudes aren't enough: real-space, H-bonding and electrostatics

M. S. Chapman, F. Fabiola, A. Korostelev and M. Fenley

Acta Cryst. (2005). A61, C115

elNémo: using normal mode analysis in molecular replacement

K. Suhre and Y.-H. Sanejouand

Acta Cryst. (2005). A61, C115

Present status of electron crystallography on inorganic materials

T. E. Weirich

Acta Cryst. (2005). A61, C115

Structural and charge-density studies of transition-metal oxides using convergent-beam electron diffraction

K. Tsuda

Acta Cryst. (2005). A61, C115-C116

Incomensurate modulated structure determination by combining HREM and ED

F. Li and H. Fan

Acta Cryst. (2005). A61, C116

Electron dynamical diffraction imaging and diffuse scattering by small dislocation loops

S. L. Dudarev, Z. Zhou, A. P. Sutton and M. L. Jenkins

Acta Cryst. (2005). A61, C116

Characterization of nanophases in HRTEM: Fourier transform and simulation

E. Suvorova, V. V. Klechkovskaya and P. A. Buffat

Acta Cryst. (2005). A61, C116

Diffraction from a laser-aligned beam of hydrated proteins

J. C. Spence, B. Doak, U. Weierstall, K. Schmidt, P. Fromme, D. Starodub, J. Wu, G. Hembree, M. Howells, D. Shapiro and H. Chapman

Acta Cryst. (2005). A61, C116

Protein structures without crystals

D. van der Spoel

Acta Cryst. (2005). A61, C116-C117

Structural proteomics using NMR in RIKEN Structural Genomics/Proteomics Initiative

T. Kigawa

Acta Cryst. (2005). A61, C117

X-ray Microscopy Project at NSRRC

M.-T. Tang, Y.-F. Song, G.-C. Yin, T.-H. Lee, C.-H. Ko, K.-L. Tsang and K. S. Liang

Acta Cryst. (2005). A61, C117

Analysis of liquid and crystalline proteins by particle induced X-ray emission (PIXE)

E. F. Garman and G. W. Grime

Acta Cryst. (2005). A61, C117

Application of natural zeolites: understanding the properties at a molecular scale

A. F. Gualtieri and E. Passaglia

Acta Cryst. (2005). A61, C117-C118

A structural view of carbonate biomineralization by bacteria

F. Guyot, K. Benzerara and N. Menguy

Acta Cryst. (2005). A61, C118

Nano-scale studies of processes on crystal surfaces in aqueous solutions

G. Jordan, K. Aldushin and W. W. Schmahl

Acta Cryst. (2005). A61, C118

Hydrothermal preparation of TiO₂: AC composite crystalline particulates

A. K. Subramani, K. Byrappa, R. Dinesh, K. M. L. Rai, S. Ananda and M. Yoshimura

Acta Cryst. (2005). A61, C118

Crystalline structure of biodegradable polyhydroxybutyrate thin films

K. Mori, H. Sato, H. Terauchi, I. Takahashi, Y. Ozaki and I. Noda

Acta Cryst. (2005). A61, C118-C119

Can structures lead to better drugs? Lessons from ribosomal antibiotics

A. Yonath

Acta Cryst. (2005). A61, C119

Inhibitors of the eukaryotic 20S proteasome core particle: a structural approach

M. Groll

Acta Cryst. (2005). A61, C119

Computational modeling of GPCRS: insight into the function of the most privileged drug targets

F. Fanelli and P. G. De Benedetti

Acta Cryst. (2005). A61, C119

Structure-based design of new AIDS drugs: overcoming drug resistance

K. Das, A. D. Clark Jr, P. J. Lewi, S. H. Hughes, P. A. J. Janssen and E. Arnold

Acta Cryst. (2005). A61, C119-C120

Evaluation of docking results by diffraction-component precision index (DPI)

N. Hirayama, J. Goto and R. Kataoka

Acta Cryst. (2005). A61, C120

New approach to structure determination of crystalline polymer electrolytes

Y. Andreev, E. Staunton and P. G. Bruce

Acta Cryst. (2005). A61, C120

Magnetic control of electric polarization in magnetic oxides with non-collinear magnetic structures

T. Kimura, G. Lawes and A. P. Ramirez

Acta Cryst. (2005). A61, C120

Crystal structure and magneto-transport properties of new cobalt based layered oxides

D. Pelloquin, S. Hébert, O. Perez, N. Barrier, B. Raveau and A. Maignan

Acta Cryst. (2005). A61, C120-C121

Single-component molecular conductor formed by electron transfer between d and orbitals

M. Mitsumi, H. Goto, S. Umebayashi, Y. Ozawa and K. Toriumi

Acta Cryst. (2005). A61, C121

In field incommensurate-commensurate phase transition in the multiferroic TbMnO₃

N. Aliouane, D. N. Argyriou, J. Strempfer, S. Langesell, C. J. Milne and M. v. Zimmerman

Acta Cryst. (2005). A61, C121

Crystallography boot camp at Cold Spring Harbor Laboratory

J. W. Pflugrath

Acta Cryst. (2005). A61, C121

Introducing twinning

S. Parsons

Acta Cryst. (2005). A61, C121

Real versus virtual aids in teaching crystallography

M. Jaskolski and E. Bartoszak-Adamska

Acta Cryst. (2005). A61, C121-C122

Towards a web-based interactive environment for the teaching of crystallography

G. Chapuis and N. Schoeni

Acta Cryst. (2005). A61, C122

Teaching crystallography with a laser, two lens and ...Einstein's tongue

P. Dumas and V. Cura

Acta Cryst. (2005). A61, C122

Structural biology of ligninolytic enzymes: laccases and heme peroxidases

K. Piontek

Acta Cryst. (2005). A61, C122

Inhibitor binding to aldose reductase studied at subatomic resolution

A. D. Podjarny, A. Mitschler, I. Hazemann, T. Petrova, F. Ruiz, E. Howard, C. Darmanin, R. Chung, T. R. Schneider, R. Sanishvili, C. Schulze-Briesse, T. Tomizaki, M. Van Zandt, M. Oka, A. Joachimiak and O. El-Kabbani

Acta Cryst. (2005). A61, C123

The activation process of D. desulfuricans ATCC 27774 [NiFe] hydrogenase

P. M. Matias

Acta Cryst. (2005). A61, C123

Time- and position-resolved X-ray scattering of bone and cartilage

P. Fratzl, H. S. Gupta, W. Wagermaier, P. Roschger, A. Gourrier and O. Paris

Acta Cryst. (2005). A61, C123

A mesoporous pattern created by nature in siliceous spicules from marine sponges

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

Acta Cryst. (2005). A61, C123

Polymer and biopolymer microstructure analysis by scanning SAXS/WAXS

C. Riekel

Acta Cryst. (2005). A61, C123-C124

Small-angle X-ray scattering analysis of anisotropic block copolymer microdomains

T. Hashimoto

Acta Cryst. (2005). A61, C124

Supramolecular structures via self-assembly of A congeners

P. Thiyagarajan, K. Lu, J. Dong, L. Guo, V. P. Conticello and D. G. Lynn

Acta Cryst. (2005). A61, C124

Real-time observation of anisotropic structure of aggregates in stretched rubber by 2D-USAXS

Y. Shinohara, H. Kishimoto, Y. Ogawa, Y. Suzuki, K. Uesugi, N. Yagi, T. Mizoguchi and Y. Amemiya

Acta Cryst. (2005). A61, C124

Spherulites for polar dye organization

J. B. Benedict, C. Branham, M. Nichols, S. Randall, P. Reid and B. Kahr

Acta Cryst. (2005). A61, C125

Overview of IUCr journals

J. R. Helliwell and P. R. Strickland

Acta Cryst. (2005). A61, C125

Acta Crystallographica Section A: Foundations of Crystallography

D. Schwarzenbach

Acta Cryst. (2005). A61, C125

Acta Crystallographica Section B: Structural Science

C. P. Brock

Acta Cryst. (2005). A61, C125

Acta Crystallographica Section C: Crystal Structure Communications

G. Ferguson

Acta Cryst. (2005). A61, C125-C126

Acta Crystallographica Section D: Biological Crystallography, 2002-2004

E. N. Baker and Z. Dauter

Acta Cryst. (2005). A61, C126

Acta Crystallographica Section E: Structure Reports Online: rapid growth 2001-2004

W. Clegg and D. G. Watson

Acta Cryst. (2005). A61, C126

Acta Crystallographica Section F: launch year report

H. M. Einspahr and J. M. Guss

Acta Cryst. (2005). A61, C126

Journal of Applied Crystallography

G. Kostorz

Acta Cryst. (2005). A61, C126

Journal of Synchrotron Radiation: current status and issues

D. Mills, Å. Kvick and T. Ohta

Acta Cryst. (2005). A61, C126-C127

Getting the best out of IUCr journals (practical advice and demonstrations)

P. Strickland, G. Holmes, L. Jones and B. McMahon

Acta Cryst. (2005). A61, C127

mmCIF and modern macromolecular structure determination software: status and perspectives

R. W. Grosse-Kunstleve and P. D. Adams

Acta Cryst. (2005). A61, C127

A dictionary approach to translate memory variables from crystallography software to mmCIF items

H. Zheng and W. Minor

Acta Cryst. (2005). A61, C127

Analysis and visualization of TLS motion in proteins using the mmLib toolkit

E. A. Merritt and J. Painter

Acta Cryst. (2005). A61, C127-C128

CIF operations and applications at the CCDC

F. H. Allen, C. F. Macrae, S. Motherwell, L. H. Purkis, G. P. Shields and R. Taylor

Acta Cryst. (2005). A61, C128

PDBML: the XML-based database and its applications

H. Nakamura, N. Ito, R. Yamashita, D. Standley, A. Paehler and A. Yoshihara

Acta Cryst. (2005). A61, C128

Use of mmCIF in the publication of macromolecular crystallography communications

B. McMahon, P. R. Strickland, H. M. Einspahr, J. M. Guss and L. E. Jones

Acta Cryst. (2005). A61, C128

mmCIF and dictionary driven software with the MSD database production pipeline

K. Henrick, S. Valenkar, H. Boutselakis, A. Hussain, J. Ionides, A. Kapopoulou, P. Keller, R. Newman, J. Pineda, A. Suarez, J. Swaminathan and J. Tate

Acta Cryst. (2005). A61, C128

mmCIF applications at the RCSB Protein Data Bank

Z. Feng, H. M. Berman, H. Yang and J. D. Westbrook

Acta Cryst. (2005). A61, C129

What is the issue with autodeposit?

Z. Otwinowski

Acta Cryst. (2005). A61, C129

Harvesting should be a complete and repeatable record of experiment

T. Terwilliger

Acta Cryst. (2005). A61, C129

Harvesting - from data collection to deposition

H. R. Powell, A. G. W. Leslie, T. G. Battye and K. Henrick

Acta Cryst. (2005). A61, C129

Streamlining data bank deposition and manuscript submission

H. Einspahr

Acta Cryst. (2005). A61, C129-C130

Modular aspects of inorganic and mineral structures

E. Makovicky

Acta Cryst. (2005). A61, C130

OD approach in natural and synthetic inorganic compounds: an useful tool in structure solving and structure modeling

S. Merlino

Acta Cryst. (2005). A61, C130

Graph theory, symmetry and inorganic solids

I. D. Brown

Acta Cryst. (2005). A61, C130

News about the Inorganic Crystal Structure Database ICSD

R. Allmann and R. Hinek

Acta Cryst. (2005). A61, C130

Pressure calibration standard at high temperature and high pressure

M. Matsui

Acta Cryst. (2005). A61, C131

Crystal structures of two iron-containing minerals: sturmanite and biraite-(Ce) (a new mineral)

D. Pushcharovsky, M. Pasero and S. Merlino

Acta Cryst. (2005). A61, C131

International Tables. The present and future

H. Fuess

Acta Cryst. (2005). A61, C131

International Tables for Crystallography Online

N. Ashcroft, P. Strickland, B. McMahon, D. Holden and D. Hoare

Acta Cryst. (2005). A61, C131

International Tables: Volume E

D. B. Litvin and V. Kopský

Acta Cryst. (2005). A61, C131-C132

Volume D of Int. Tables: Physical Properties of Crystals

A. Authier

Acta Cryst. (2005). A61, C132

International Tables for Crystallography, Volume A1

U. Müller and H. Wondratschek

Acta Cryst. (2005). A61, C132

Volume G: Definition and exchange of crystallographic data

S. Hall and B. McMahon

Acta Cryst. (2005). A61, C132

Status of Volume A: space-group symmetry

T. Hahn

Acta Cryst. (2005). A61, C132

Status of Volume B: reciprocal space - planned 3rd edition

U. Shmueli

Acta Cryst. (2005). A61, C132-C133

Update on International Tables for Crystallography Volume F

E. Arnold and M. G. Rossmann

Acta Cryst. (2005). A61, C133

Intl Tables for Crystallography Vol F1, space-group symmetry for structural biology

E. Arnold

Acta Cryst. (2005). A61, C133

Exploring novel synchrotron approaches to structure determination by single-crystal XRD

P. Dera

Acta Cryst. (2005). A61, C133

Single crystal studies using the 9.8 station at SRS Daresbury

C. Hejny, L. Lundegaard, S. Falconi and M. I. McMahon

Acta Cryst. (2005). A61, C133

High pressure single crystal studies using neutrons

M. Guthrie, J. S. Loveday, R. J. Nelmes, C. L. Bull, S. Klotz, T. Strässle and G. Hamel

Acta Cryst. (2005). A61, C134

Single crystal neutron experiments under pressures up to 38 GPa

I. Goncharenko, A. Gukasov and P. Loubeyre

Acta Cryst. (2005). A61, C134

Development of a new state-of-the-art beamline optimised for single crystal and powder X-ray diffraction under extreme conditions at the ESRF

M. Mezouar, W. A. Crichton, S. Bauchau, G. Blattmann, P. Marion, J. Chavanne, Y. Dabin, O. Hignette and C. Morawe

Acta Cryst. (2005). A61, C134

Recent progress in large-volume high P-T in situ X-ray observation at SPring-8

T. Katsura, E. Ito, K. Funakoshi and A. Nozawa

Acta Cryst. (2005). A61, C134

High-pressure magnetic collapse in transition-metal oxides

J.-P. Rueff, A. Mattila, J. Badro, G. Vanko and A. Shukla

Acta Cryst. (2005). A61, C135

SAXSess - an analytical tool for nanostructured materials

H. Schnablegger, O. Glatter and T. Röder

Acta Cryst. (2005). A61, C135

Illuminating the role of brightness in X-ray diffraction

L. Seijbel and A. B. Storm

Acta Cryst. (2005). A61, C135

A holder for diffracting crystals and mesophases straight from crystallization plates

A. Mechaly, J. Agirre, A. Cabo and D. M. A. Guérin

Acta Cryst. (2005). A61, C135

Applications of Bragg backscattering from crystalline quartz

A. Q. R. Baron, J. P. Sutter, T. Ishikawa and H. Yamazaki

Acta Cryst. (2005). A61, C135-C136

Development of a real-time timing-shutter delay monitor

R. Alkire, M. Molitsky, F. Rotella and N. Duke

Acta Cryst. (2005). A61, C136

An X-ray chopper for time-resolved crystallography

S. Husheer, K. Bowes, J. Cole, T. Rayment, S. Teat, J. Warren, G. Bushnell-Wye and P. Raithby

Acta Cryst. (2005). A61, C136

Modeling the IRF of synchrotron powder diffractometers with focusing optics

F. Gozzo, L. De Caro, C. Giannini, A. Guagliardi and B. Schmitt

Acta Cryst. (2005). A61, C136

Microcrystal X-ray analyses using LTV camera at SPring-8 BL02B1 beamline

N. Yasuda, Y. Ozawa, K. Toriumi, S. Kuwahara, K. Obata, K. Yoshida, T. Matsumoto and N. Harada

Acta Cryst. (2005). A61, C136

The phase 1 macromolecular crystallography beamlines on Diamond

E. Duke, G. Evans, R. Flaig, A. Grant, K. McAuley and T. Sorensen

Acta Cryst. (2005). A61, C137

Movement of single-crystal protein samples at synchrotron beamlines

F. J. Rotella, R. W. Alkire and N. E. C. Duke

Acta Cryst. (2005). A61, C137

Harmonics-free channel-cut X-ray crystal monochromator with focussing effect

J. Hrdá and J. Hrdý

Acta Cryst. (2005). A61, C137

Aberrations of Bragg-case diffractive-refractive optics (sagittal focusing)

J. Hrdy, A. Kubena and P. Mikulík

Acta Cryst. (2005). A61, C137

SER-CAT: the Advanced Photon Source's latest protein crystallography facility

B.-C. Wang, J. Chrzas, G. Rosenbaum, J. Fait, J. Gonczy, S. Foundling, Z. Jin, K. Morris, L. Horanyi, M. Graham and J. P. Rose

Acta Cryst. (2005). A61, C137

PETRA III: a low emittance high energy synchrotron radiation source

E. Weckert, K. Balewski, W. Brefeld, H. Franz and R. Roehlsberger

Acta Cryst. (2005). A61, C138

Time-resolved and charge-density studies at ChemMatCARS

T. J. Graber, Y.-S. Chen, P. Coppens, J. Gebhardt, M. Gembicky, B. B. Iversen, R. D. Poulsen, P. J. Viccaro, I. Vorontosv and F. Westferro

Acta Cryst. (2005). A61, C138

A comprehensive environment for doing macromolecular crystallography at SSRL

T. Eriksson

Acta Cryst. (2005). A61, C138

Development of protein crystallography beamlines at the Photon Factory for automated experiment

N. Matsugaki, N. Igarashi, Y. Yamada, M. Hiraki, Y. Gaponov, M. Suzuki and S. Wakatsaki

Acta Cryst. (2005). A61, C138

New optical design and performance of the NSLS X21 X-ray wiggler beamline

L. E. Berman, W. A. Caliebe, P. A. Montanez, L. Yang, C. S. Nelson, A. Lenhard, F. A. Staicu, C. Stelmach, S. C. LaMarra, S. Pjerov and S. L. Hulbert

Acta Cryst. (2005). A61, C139

Microcrystallography at ChemMatCARS at the Advanced Photon Source

V. G. Young Jr, P. J. Viccaro, T. Graber, M. Pink, J. Gebhardt and Y.-S. Chen

Acta Cryst. (2005). A61, C139

GM/CA canted undulator beamlines for protein crystallography

R. F. Fischetti, S. Stepanov, S. Xu, O. Makarov, A. Urakhchin, R. Sanishvili, W. W. Smith, D. Yoder, R. Benn, S. Corcoran, S. Devarapalli, W. Diete, M. Schwoerer-Boehing, R. Signorato, L. E. Berman and J. L. Smith

Acta Cryst. (2005). A61, C139

Instrumentation for X-ray scanning-diffraction with sub-micron resolution

M. Burghammer and C. Riekel

Acta Cryst. (2005). A61, C139

I16: a magnetic and material diffraction beamline on Diamond

A. Bombardi and S. Collins

Acta Cryst. (2005). A61, C139

Structural characterization of a small heat-shock protein from Xylella fastidiosa

S. F. S. Tada, F. Javier Medrano, B. Gomes Guimarães, C. L. Pintode Oliveira, Í. Torriani and A. Pereirade Souza

Acta Cryst. (2005). A61, C140

Phase determination using a wide-band parallel synchrotron radiation beam

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

Acta Cryst. (2005). A61, C140

Simultaneous XRPD-MS study on iron oxides supported on spinel-like aluminate

D. Ghisletti, U. Cornaro, C. Contardi, D. Sanfilippo, M. Gemmi, M. Merlini and G. Artioli

Acta Cryst. (2005). A61, C140

Automation of MX data collection and processing

O. Svensson, K. Ackroyd, A. Ashton, G. Bourenkov, S. Kinder, A. Leslie, S. McSweeney, C. Nave, A. Popov, H. Powell, D. Spruce and G. Winter

Acta Cryst. (2005). A61, C140

Still bad crystals, but good data and results from synchrotron facilities

W. Clegg and R. W Harrington

Acta Cryst. (2005). A61, C140-C141

Recent developments and diffuse scattering studies at beamline F1 (Hasylab/DESY)

C. Paulmann and U. Bismayer

Acta Cryst. (2005). A61, C141

Efficiency of light atoms on the low energy SAD phasing

Y. Yamada, T. Satoh, K. Ihara, N. Igarashi, N. Matsugaki, N. Watanabe, M. Suzuki and S. Wakatsuki

Acta Cryst. (2005). A61, C141

Testing the compact light source: a miniature synchrotron for the home lab

R. D. Ruth, J. Rifkin and R. Loewen

Acta Cryst. (2005). A61, C141

On forced reflection and transmission of speech, using X-rays

M. Navasardyan

Acta Cryst. (2005). A61, C141-C142

High brilliance X-ray laboratory system for microdiffraction studies

O. V. Mikhin, V. S. Ozerov and A. V. Priladyshev

Acta Cryst. (2005). A61, C142

BL-17: New structural biology beam line at the Photon Factory

N. Igarashi, A. Koyama, N. Matsugaki, Y. Yamada, Y. Wakabayashi, K. Hirano, T. Iwazumi, H. Kawata, N. Watanabe and S. Wakatsuki

Acta Cryst. (2005). A61, C142

Portable X-ray complex for micro-diffration and micro-analysis of element composition of poly-crystal materials

M. A. Kumakhov, V. P. Bokarev, O. V. Mikhin, S. S. Gorbunov and S. V. Nikitina

Acta Cryst. (2005). A61, C142

X-ray back-diffraction wavefields self-imaged with a CCD detector

M. Goncalves Hönnicke and C. Cusatis

Acta Cryst. (2005). A61, C142

A high quality bent crystal monochromator based on asymmetric Laue geometry

H.-C. Hu

Acta Cryst. (2005). A61, C143

High-resolution neutron diffraction monochromators

P. Mikula, M. Vrana and V. Wagner

Acta Cryst. (2005). A61, C143

Isotopic substitution neutron diffraction for enhanced structural information from crystalline powder materials

P. F. Henry

Acta Cryst. (2005). A61, C143

The new quasi-Laue diffractometer at the Australian OPAL Research Reactor

W. T. Klooster

Acta Cryst. (2005). A61, C143

Design of a neutron diffractometer at SINQ using Monte Carlo simulations

L. Keller and U. Filges

Acta Cryst. (2005). A61, C143-C144

The IPEN-CNEN/SP PSD neutron diffractometer

C. B. Ramos Parente, V. L. Mazzocchi and Y. P. Mascarenhas

Acta Cryst. (2005). A61, C144

The new single crystal diffractometer HEiDi at the FRM-II and its applications

M. Meven, V. Hutanu and G. Heger

Acta Cryst. (2005). A61, C144

The Italian neutron experimental station (INES) at ISIS: status and development

F. Grazzi, U. Bafile, M. Celli, D. Colognesi and M. Zoppi

Acta Cryst. (2005). A61, C144

Design of a high resolution macromolecular neutron diffractometer (MaNDi) for structural biology research at the SNS

P. Thiyagarajan, A. J. Schultz, C. Rehm, J. P. Hodges, D. A. Myles, P. A. Langan and A. D. Mesecar

Acta Cryst. (2005). A61, C144-C145

Advances in neutron single crystal diffraction towards a smaller sample sizes

C. Hoffmann, A. Stoica, A. Schultz, P. Piccoli, R. Bau and T. Koetzle

Acta Cryst. (2005). A61, C145

Single-crystal neutron diffraction on sigma complexes: recent results from IPNS

T. F. Koetzle and A. J. Schultz

Acta Cryst. (2005). A61, C145

A new area detector for ultra-fast X-ray diffraction analysis

K. Sugimoto, T. Taguchi and M. Kuribayashi

Acta Cryst. (2005). A61, C145

Obtaining accurate lattice parameters from Debye-Scherrer image plate data

J. Hester and B. Kennedy

Acta Cryst. (2005). A61, C145

Data collection system for protein crystallography using CMOS image sensor

K. Hasegawa, M. Yamamoto and N. Yagi

Acta Cryst. (2005). A61, C145-C146

CMOS flatpanel detectors for SAXS/WAXS experiments

N. Yagi and K. Inoue

Acta Cryst. (2005). A61, C146

1- and 2D Detectors and sample fluorescence in XRD

M. Fransen

Acta Cryst. (2005). A61, C146

Use of a single crystal diffractometer and CCD area detector for phase identification

C. Campana, M. Ruf, B. He, M. Lyubchenko, K. Smith and O. Meding

Acta Cryst. (2005). A61, C146

IP slant-incidence correction for accurate structure factor measurements

K. Tanaka, T. Yoshimi and N. Morita

Acta Cryst. (2005). A61, C146

XPAD: a pixel detector for material sciences

N. Boudet, J.-F. Berar, J.-C. Clemens and P. Delpierre

Acta Cryst. (2005). A61, C147

Metrological assurance of the substance and materials investigations by diffraction methods

B. N. Kodess and S. Kononogov

Acta Cryst. (2005). A61, C147

The EU BIOXHIT standard test crystal

I. Dix, M. Sevvana, G. Bunkóczi, J. É. Debreczeni and G. M. Sheldrick

Acta Cryst. (2005). A61, C147

Strain analysis using high energy X-ray white beam diffraction

A. Korsunsky, J. Liu and M. Golshan

Acta Cryst. (2005). A61, C147

Improving data quality - without having to grow new crystals

A. Coetzee, B. Schierbeek, G. Witte, U. Curth, D. J. Manstein and R. Fedorov

Acta Cryst. (2005). A61, C147-C148

High resolution data collection in the home lab

M. M. Benning and C. B. Bauer

Acta Cryst. (2005). A61, C148

A design for a new state-of-the-art diffraction facility

M. R. Probert, A. E. Goeta, D. S. Yufit and J. A. K. Howard

Acta Cryst. (2005). A61, C148

Picosecond lattice dynamics probed by time- and angle-resolved X-ray diffraction

Y. Tanaka, Y. Hayashi and T. Ishikawa

Acta Cryst. (2005). A61, C148

Time-resolved studies with pulsed X-rays at BioCARS: present capabilities and future directions

R. Pahl, V. Srajer and K. Moffat

Acta Cryst. (2005). A61, C148

Analyzing mosaic domain changes induced by cryo-cooling with digital topography

J. J. Lovelace, C. R. Murphy, R. Pahl, K. Brister and G. E. O. Borgstahl

Acta Cryst. (2005). A61, C149

Symmetrisation of powder diffraction peak profiles by a fourier method

T. Ida

Acta Cryst. (2005). A61, C149

The role of e-science in service crystallography: the UK National Crystallography Service on the Grid

S. Coles, J. Frey, M. Hursthouse, M. Light, D. DeRoure, H. Mills, K. Meacham and M. Surridge

Acta Cryst. (2005). A61, C149

Automated data collection at the IMCA-CAT Advanced Photon Source user facility

A. Mulichak, K. Battaile, I. Koshelev, J. L. Muir, K. Favale, A. Bertling and L. Keefe

Acta Cryst. (2005). A61, C149

An ultra-fast mechanical shutter for sub-microsecond time-resolved experiments

M. Gembicky and P. Coppens

Acta Cryst. (2005). A61, C149-C150

High-throughput protein crystallization

M. Hiraki, R. Kato, Y. Yamada, N. Matsugaki, N. Igarashi and S. Wakatsuki

Acta Cryst. (2005). A61, C150

Miniaturization in structural biology pipelines

E. E. Abola, P. Kuhn and R. Stevens

Acta Cryst. (2005). A61, C150

High-resolution data using short wavelength confocal optics and a cylindrical IP

L. Daniels, J. Ferrara and R. Benson

Acta Cryst. (2005). A61, C151

Ab-initio structure determination of SMU.440 protein from Streptococcus mutans

J. Nan, X.-Y. Zhang, X.-Y. Liu, Y.-H. Liang and X.-D. Su

Acta Cryst. (2005). A61, C151

X-ray structure determination of hydroxyphenylpyruvate reductase at 1.47 Å resolution

A. Heine, V. Janiak, M. Petersen and G. Klebe

Acta Cryst. (2005). A61, C151

SIR2004: new features for ab-initio crystal structure solution

B. Carrozzini, M. C. Burla, R. Caliandro, M. Camalli, G. L. Cascarano, L. De Caro, C. Giacovazzo, G. Polidori and R. Spagna

Acta Cryst. (2005). A61, C151

High throughput technique in structural bioinformatics

S. Selvanayagam, D. Velmurugan and T. Yamane

Acta Cryst. (2005). A61, C151-C152

SAD phasing at the presence of pseudo-translational symmetry

Y. He, Z. Lin, Y. Gu and H. Fan

Acta Cryst. (2005). A61, C152

Automated web- and grid-based protein phasing with BnP

C. M. Weeks, N. Shah, M. L. Green, R. Miller and W. Furey

Acta Cryst. (2005). A61, C152