highlighted articles

This page contains a selection of articles from Crystallography Journals Online that have been highlighted in the IUCr newsletter.

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Acta Cryst. (2011). A67, 319-326 [ doi:10.1107/S0108767311011883 ] The development of Laue techniques for single-pulse diffraction of chemical complexes: time-resolved Laue diffraction on a binuclear rhodium metal-organic complex A. Makal, E. Trzop, J. Sokolow, J. Kalinowski, J. Benedict and P. Coppens Laser-pump/X-ray probe experiments at synchrotron sources can reveal the structure of very short-lived chemical complexes at atomic resolution. It is crucial in such experiments to maximize both the time resolution and the accuracy of the results. The former requires single-pulse diffraction which can be achieved with the polychromatic Laue technique, the latter requires detailed modification of existing Laue procedures, which are described in the article together with results of their application at APS beamline ID-14 and comparison of the results with theoretical predictions.		Photodifference maps showing instantaneous changes on excitation with isosurfaces of ±0.25 eÅ^-3 (red positive, blue negative).

Acta Cryst. (2011). B67, 218-225 [ doi:10.1107/S0108768111014534 ] Structure analysis of titanate nanorods by automated electron diffraction tomography I. Andrusenko, E. Mugnaioli, T. E. Gorelik, D. Koll, M. Panthöfer, W. Tremel and U. Kolb A newly developed electron diffraction technique was used to solve ab initio an intermediate species in the synthesis of TiO₂ nanorods used for dye-sensitized solar cells. Automated diffraction tomography (ADT) allows scanning and 3D reconstruction of the reciprocal space from a single nonoriented nanocrystal. This new approach delivers intensity data sets with enhanced quantity and quality suitable for ab initio structure solution and in addition visualizes crystallographic specialties such as diffraction streaks caused by layer shifts. HRTEM analysis revealed more detailed understanding of the defects.		Projection of three-dimensional reconstructed reciprocal space from ADT data taken from two single nanorods. The reciprocal space is oriented along (100). Top left: strongly disordered rod, top right: almost ordered rod. Bottom: final model of sodium titanate NaTi₃O₆(OH).2H₂O structure, obtained ab initio from the upper-right reconstruction.

Acta Cryst. (2011). C67, m202-m204 [ doi:10.1107/S0108270111018233 ] The pentacoordinated [Cr(CO)₅]^2- dianion in [2,2,2-crypt-K]₂[Cr(CO)₅] ethylenediamine monosolvate J. Zhai and L. Xu Formula: [K(C₁₈H₃₆N₂O₆)]₂[Cr(CO)₅]·C₂H₈N₂ The first penta-coordinated chromium–carbonyl compound [2,2,2-crypt-K]₂[Cr(CO)₅].NH₂CH₂CH₂NH₂ was obtained from the reaction of K₃Cd₂Sb₂ and Cr(CO)₆ in ethylenediamine in the presence of 2,2,2-cryptand. The central Cr atom is coordinated by five carbonyl ligands in a distorted trigonal bipyramidal geometry. In contrast to the case of the reported hexacoordinated [Cr₂(CO)₁₀]^2- dianion, the pentacoordinated [Cr(CO)₅]^2- dianion has a longer apical Cr–C bond length than the equatorial ones as a consequence of less electron back donation to the axial carbonyl ligands.

Acta Cryst. (2011). D67, 699-706 [ doi:10.1107/S090744491102292X ] A conformation-dependent stereochemical library improves crystallographic refinement even at atomic resolution D. E. Tronrud and P. A. Karplus A script has been created to allow protein refinements with SHELXL to use a conformation (/) dependent library (CDL) of restraints. Tests at resolutions between 1.4 and 0.8 Å showed that models created using the CDL restraints had much improved geometry. For resolutions better than 0.8 Å, use of the CDL made little difference to the models, but their assessed quality was much improved. Results indicate the CDL improves refinement behavior at all resolutions. The script can be accessed at http://pgd.science.oregonstate.edu/cdl_shelxl.		Improved refinement behavior using the CDL. For a test case at each resolution, the bars show the decrease in r.m.s.d. for the main-chain bond angles resulting from the refinement against the CDL as opposed to the single-value Engh & Huber restraint library. Blue bars show the improvement in assessed quality. Red bars show the real improvement.

Acta Cryst. (2011). E67, o1908 [ doi:10.1107/S1600536811025712 ] Bis(8-methyl-2,8-dicarba-closo-dodecaboran-2-yl) triselenide A. Ilie, A. Soran, A. Laguna and C. Silvestru The structure of the title compound is reported, the first (to our knowledge) dicarboranetriselenide described so far. Two closo-C₂B₁₀ icosahedra are linked by a chain of three selenium atoms: the Se–Se bond lengths suggest that they can be regarded as single covalent bonds. The geometry around the central Se atom is V-shaped, with an Se–Se–Se angle of 105.60 (4)°, and the C–Se–Se–Se torsion angles indicate a strongly twisted conformation for the linking triselenide grouping.

Acta Cryst. (2011). F67, 842-850 [ doi:10.1107/S1744309111018604 ] In silico identification and crystal structure validation of caspase-3 inhibitors without a P1 aspartic acid moiety R. Ganesan, S. Jelakovic, P. R. E. Mittl, A. Caflisch and M. G. Grütter High-resolution crystal structures in combination with fragment-based docking procedures are powerful tools for the identification of novel inhibitors. By using the fragment-based docking suite DAIM–SEED–FFLD several novel caspase-3 directed inhibitors were identified. Interestingly many of those inhibitors are lacking an aspartic acid. Although aspartic acid diminishes cell penetration, it is almost ubiquitously present in caspase inhibitors because caspases possess a stringent requirement for this amino acid. The complex structures reveal that several inhibitors utilize interactions in the prime part of the substrate-binding site.

J. Appl. Cryst. (2011). 44, 788-797 [ doi:10.1107/S0021889811014749 ] Mitigation of errors in pair distribution function analysis of nanoparticles K. Mullen and I. Levin This paper discusses procedures for minimizing systematic errors in atomic pair distribution function (PDF) calculations for nanoparticles. The use of a Fourier-transformed small-angle scattering dataset to model a baseline in the PDF calculated from wide-angle scattering data is shown to be a promising means of eliminating errors due to use of analytical baseline functions. It is also shown that smoothing noise due to counting statistics in reciprocal-space data can improve the precision of parameter estimates obtained from PDF analysis thus facilitating selection of the correct structural model.		PDFs (grey) generated using total scattering data representing counting statistics noise, with the signal-to-noise ratio indicated in the upper right corner of each plot. Smoothing the total scattering data results in approximations (blue) to the PDF (red) obtained from noise-free scattering data. The right plots represent selected ranges from the left plots.

J. Appl. Cryst. (2011). 44, 820-830 [ doi:10.1107/S0021889811021285 ] Decomposition of W(CO)₆ at high pressures and temperatures N. Rademacher, L. Bayarjargal, A. Friedrich, W. Morgenroth, M. Avalos-Borja, S. C. Vogel, Th. Proffen and B. Winkler Hexacarbonyltungsten, W(CO)₆, has been decomposed by heating in an autoclave or in a diamond anvil cell at a range of pressures. The decomposition products have been analyzed using synchrotron X-ray diffraction, pair distribution function analysis, Raman spectroscopy and scanning electron microscopy.

J. Appl. Cryst. (2011). 44, 714-726 [ doi:10.1107/S0021889811021455 ] Extracting the pair distribution function from white-beam X-ray total scattering data A. K. Soper and E. R. Barney A general method, called GudrunX, has been developed for converting raw X-ray scattering data from a standard laboratory source to the differential cross section and pair distribution function. The method can equally be applied to synchrotron X-ray data.

J. Synchrotron Rad. (2011). 18, 564-568 [ doi:10.1107/S0909049511009836 ] Hard X-ray Fourier transform holography from an array of oriented referenced objects H. Iwamoto and N. Yagi The use of multiple, oriented and singly referenced objects was evaluated as a means to overcome the low scattering cross section inherent in hard X-ray Fourier transform holography. The nanofabricated test pattern consisted of identical characters, each with a reference dot, arranged in a 5 × 5 matrix. The image of each object was restored as in the conventional single-object case. This technique can be considered as a means to image biological macromolecules or their assemblies, which diffract weakly but of which identical copies are available.		Scanning ion microscope image of the test pattern (lower right, a Chinese character meaning “up”) and multiple images restored from a hard X-ray hologram.

previously highlighted articles

S. Brockhauser, K. I. White, A. A. McCarthy & R. B. G. Ravelli (2011). Translation calibration of inverse-kappa goniometers in macromolecular crystallography. Acta Cryst. A67, 219-228.

D. Santamaria-Perez, A. Vegas, C. Muehle & M. Jansen (2011). High-pressure experimental study on Rb₂S: antifluorite to Ni₂In-type phase transitions. Acta Cryst. B67, 109-115.

T. N. Drebushchak, V. A. Drebushchak & E. V. Boldyreva (2011). Solid-state transformations in the -form of chlorpropamide on cooling to 100 K. Acta Cryst. B67, 163-176.

A. Lemmerer (2011). Six two- and three-component ammonium carboxylate salt structures with a ladder-type hydrogen-bonding motif, three incorporating neutral carboxylic acid molecules. Acta Cryst. C67, o92-o99.

R. M. McMahon, L. Friis, C. Siebold, M. A. Friese, L. Fugger & E. Y. Jones (2011). Structure of HLA-A*0301 in complex with a peptide of proteolipid protein: insights into the role of HLA-A alleles in susceptibility to multiple sclerosis. Acta Cryst. D67, 447-454.

A. Collas, M. Zeller & F. Blockhuys (2011). 4,4'-Bis[2-(3,5-dimethoxyphenyl)ethenyl]biphenyl. Acta Cryst. E67, o1112-o1113.

A. Schmidt, M. Teeter, E. Weckert & V. S. Lamzin (2011). Crystal structure of small protein crambin at 0.48 Å resolution. Acta Cryst. F67, 424-428.

F. Ott & S. Kozhevnikov (2011). Off-specular data representations in neutron reflectivity. J. Appl. Cryst. 44, 359-369.

B. Ouladdiaf, J. Archer, J. R. Allibon, P. Decarpentrie, M.-H. Lemée-Cailleau, J. Rodríguez-Carvajal, A. W. Hewat, S. York, D. Brau & G. J. McIntyre (2011). CYCLOPS - a reciprocal-space explorer based on CCD neutron detectors. J. Appl. Cryst. 44, 392-397.

X. Li, C.-Y. Shew, L. He, F. Meilleur, D. A. A. Myles, E. Liu, Y. Zhang, G. S. Smith, K. W. Herwig, R. Pynn & W.-R. Chen (2011). Scattering functions of Platonic solids. J. Appl. Cryst. 44, 545-557.

E. De la Mora, I. Carmichael & E. F. Garman (2011). Effective scavenging at cryotemperatures: further increasing the dose tolerance of protein crystals. J. Synchrotron Rad. 18, 346-357.

R. A. Kirian, T. A. White, J. M. Holton, H. N. Chapman, P. Fromme, A. Barty, L. Lomb, A. Aquila, F. R. N. C. Maia, A. V. Martin, R. Fromme, X. Wang, M. S. Hunter, K. E. Schmidt & J. C. H. Spence (2011). Structure-factor analysis of femtosecond microdiffraction patterns from protein nanocrystals. Acta Cryst. A67, 131-140.

S. Deloudi, F. Fleischer & W. Steurer (2011). Unifying cluster-based structure models of decagonal Al-Co-Ni, Al-Co-Cu and Al-Fe-Ni. Acta Cryst. B67, 1-17.

S. Domagala, P. Munshi, M. Ahmed, B. Guillot & C. Jelsch (2011). Structural analysis and multipole modelling of quercetin monohydrate - a quantitative and comparative study. Acta Cryst. B67, 63-78.

A. Kelley, S. Akkina, G. K. Devarapally, S. Nalla, D. Pasam, S. Madhabushi & M. R. Bond (2011). Nine compounds containing high-nuclearity [Cu_nX_2n+2]^2- (n = 4, 5 or 7; X = Cl or Br) quasi-planar oligomers. Acta Cryst. C67, m22-m34.

Q. Liu, Z. Zhang & W. A. Hendrickson (2011). Multi-crystal anomalous diffraction for low-resolution macromolecular phasing. Acta Cryst. D67, 45-59.

K. Brzezinski, A. M. Tomkiel, Z. Lotowski, J. Morzycki & Z. Dauter (2011). Bis[3,7,12-tris(4-nitrobenzoyloxy)-5-cholan-24-yl] disulfide-ethyl acetate-n-hexane (4/4/1). Acta Cryst. E67, o74-o75.

T. Miyamoto, Y. Asahina, S. Miyazaki, H. Shimizu, U. Ohto, S. Noguchi & Y. Satow (2011). Structures of the SEp22 dodecamer, a Dps-like protein from Salmonella enterica subsp. enterica serovar Enteritidis. Acta Cryst. F67, 17-22.

S. L. Morelhão, C. M. R. Remédios, R. O. Freitas & A. O. dos Santos (2011). X-ray phase measurements as a probe of small structural changes in doped nonlinear optical crystals. J. Appl. Cryst. 44, 93-101.

P. Schaub, T. Weber & W. Steurer (2011). Analysis and modelling of structural disorder by the use of the three-dimensional pair distribution function method exemplified by the disordered twofold superstructure of decagonal Al-Cu-Co. J. Appl. Cryst. 44, 134-149.

F. Zhang, A. J. Allen, L. E. Levine, J. Ilavsky, G. G. Long & A. R. Sandy (2011). Development of ultra-small-angle X-ray scattering-X-ray photon correlation spectroscopy. J. Appl. Cryst. 44, 200-212.

G. Margaritondo & P. Rebernik Ribic (2011). A simplified description of X-ray free-electron lasers. J. Synchrotron Rad. 18, 101-108.

J. M. Perez-Mato, D. Orobengoa & M. I. Aroyo (2010). Mode crystallography of distorted structures. Acta Cryst. A66, 558-590.

A. Bosak, D. Chernyshov, M. Krisch & L. Dubrovinsky (2010). Symmetry of platelet defects in diamond: new insights with synchrotron light. Acta Cryst. B66, 493-496.

L. Schmitt, G. Labat & H. Stoeckli-Evans (2010). Crystal-to-crystal transformation upon dehydration of a copper(II) 2,2':6',2''-terpyridine complex. Acta Cryst. C66, m343-m347.

M. Warkentin & R. E. Thorne (2010). Glass transition in thaumatin crystals revealed through temperature-dependent radiation-sensitivity measurements. Acta Cryst. D66, 1092-1100.

J.-C. Xing, X.-G. Cui, B. Zhang & W.-Z. Li (2010). {₂-6,6'-Dimethoxy-2,2'-[butane-1,4-diylbis(nitrilomethylidyne)]diphenolato}trinitratocopper(II)neodymium(III). Acta Cryst. E66, m1423.

Q. Xu, P. Abdubek, T. Astakhova, H. L. Axelrod, C. Bakolitsa, X. Cai, D. Carlton, C. Chen, H.-J. Chiu, T. Clayton, D. Das, M. C. Deller, L. Duan, K. Ellrott, C. L. Farr, J. Feuerhelm, J. C. Grant, A. Grzechnik, G. W. Han, L. Jaroszewski, K. K. Jin, H. E. Klock, M. W. Knuth, P. Kozbial, S. S. Krishna, A. Kumar, W. W. Lam, D. Marciano, M. D. Miller, A. T. Morse, E. Nigoghossian, A. Nopakun, L. Okach, C. Puckett, R. Reyes, H. J. Tien, C. B. Trame, H. van den Bedem, D. Weekes, T. Wooten, A. Yeh, J. Zhou, K. O. Hodgson, J. Wooley, M.-A. Elsliger, A. M. Deacon, A. Godzik, S. A. Lesley & I. A. Wilson (2010). Structure of a membrane-attack complex/perforin (MACPF) family protein from the human gut symbiont Bacteroides thetaiotaomicron. Acta Cryst. F66, 1297-1305.

E. Wintersberger, D. Kriegner, N. Hrauda, J. Stangl & G. Bauer (2010). Algorithms for the calculation of X-ray diffraction patterns from finite element data. J. Appl. Cryst. 43, 1287-1299.

M. Donnelley, K. K. W. Siu, K. S. Morgan, W. Skinner, Y. Suzuki, A. Takeuchi, K. Uesugi, N. Yagi & D. W. Parsons (2010). A new technique to examine individual pollutant particle and fibre deposition and transit behaviour in live mouse trachea. J. Synchrotron Rad. 17, 719-729.

H. Svendsen, J. Overgaard, R. Busselez, B. Arnaud, P. Rabiller, A. Kurita, E. Nishibori, M. Sakata, M. Takata & B. B. Iversen (2010). Multipole electron-density modelling of synchrotron powder diffraction data: the case of diamond. Acta Cryst. A66, 458-469.

A. Gavezzotti (2010). The lines-of-force landscape of interactions between molecules in crystals; cohesive versus tolerant and `collateral damage' contact. Acta Cryst. B66, 396-406.

M. Quiroz-Guzman & S. N. Brown (2010). Tris(4-bromophenyl)aminium hexachloridoantimonate (`Magic Blue'): a strong oxidant with low inner-sphere reorganization. Acta Cryst. C66, m171-m173.

D. E. Tronrud, D. S. Berkholz & P. A. Karplus (2010). Using a conformation-dependent stereochemical library improves crystallographic refinement of proteins. Acta Cryst. D66, 834-842.

X. Zhu & M. Hu (2010). 6,14-Dibromo-2,11-dithia[3.3]paracyclophane. Acta Cryst. E66, o2123.

S. Réty, L. Rezábková, B. Dubanchet, J. Silhán, P. Legrand & A. Lewit-Bentley (2010). Structural studies of the catalytic core of the primate foamy virus (PFV-1) integrase. Acta Cryst. F66, 881-886.

A. Cervellino, J. Schefer, L. Keller, T. Woike & D. Schaniel (2010). Identification of single photoswitchable molecules in nanopores of silica xerogels using powder diffraction. J. Appl. Cryst. 43, 1040-1045.

P. Liu, J. Sun, J. Zhao, X. Liu, X. Gu, J. Li, T. Xiao & L. X. Xu (2010). Microvascular imaging using synchrotron radiation. J. Synchrotron Rad. 17, 517-521.

A. Yamamoto (2010). Short-range order diffuse scattering in quasicrystals. Acta Cryst. A66, 372-383.

A. Samy, R. E. Dinnebier, S. van Smaalen & M. Jansen (2010). Maximum entropy method and charge flipping, a powerful combination to visualize the true nature of structural disorder from in situ X-ray powder diffraction data. Acta Cryst. B66, 184-195.

A. Czapik & M. Gdaniec (2010). A new polymorph of benzene-1,2-diamine: isomorphism with 2-aminophenol and two-dimensional isostructurality of polymorphs. Acta Cryst. C66, o198-o201.

B. K. Poon, R. W. Grosse-Kunstleve, P. H. Zwart & N. K. Sauter (2010). Detection and correction of underassigned rotational symmetry prior to structure deposition. Acta Cryst. D66, 503-513.

A. D. Vasiliev, A. V. Cherepakhin & A. I. Zaitsev (2010). The trigonal polymorph of strontium tetraborate, -SrB₄O₇. Acta Cryst. E66, i48.

T. Ebisawa, A. Yamamura, Y. Kameda, K. Hayakawa, K. Nagata & M. Tanokura (2010). The structure of mAG, a monomeric mutant of the green fluorescent protein Azami-Green, reveals the structural basis of its stable green emission. Acta Cryst. F66, 485-489.

P. N. H. Nakashima & B. C. Muddle (2010). Differential quantitative analysis of background structure in energy-filtered convergent-beam electron diffraction patterns. J. Appl. Cryst. 43, 280-284.

A. Agui, H. Sakurai, T. Tamura, T. Kurachi, M. Tanaka, H. Adachi & H. Kawata (2010). Application of magnetic Compton scattering for spin-specific magnetic hysteresis measurement. J. Synchrotron Rad. 17, 321-324.

J. Springer, M. Zawisky, H. Lemmel & M. Suda (2010). A neutron interferometric measurement of a phase shift induced by Laue transmission. Acta Cryst. A66, 17-21.

C. H. Görbitz (2010). Structures of dipeptides: the head-to-tail story. Acta Cryst. B66, 84-93.

J. Spencer, B. Z. Chowdhry, S. Hamid, A. P. Mendham, L. Male, S. J. Coles & M. B. Hursthouse (2010). Seven 3-methylidene-1H-indol-2(3H)-ones related to the multiple-receptor tyrosine kinase inhibitor sunitinib. Acta Cryst. C66, o71-o78.

V. B. Chen, W. B. Arendall III, J. J. Headd, D. A. Keedy, R. M. Immormino, G. J. Kapral, L. W. Murray, J. S. Richardson & D. C. Richardson (2010). MolProbity: all-atom structure validation for macromolecular crystallography. Acta Cryst. D66, 12-21.

G. M. J. Lenagh-Snow, S. F. Jenkinson, A. J. Stewart, G. W. J. Fleet & D. J. Watkin (2010). 1-(1-Carboxymethyl-1,4-anhydro-2,3-O-isopropylidene--D-erythrofuranosyl)thymine. Acta Cryst. E66, o404.

D. R. Cooper, K. Grelewska, C.-Y. Kim, A. Joachimiak & Z. S. Derewenda (2010). The structure of DinB from Geobacillus stearothermophilus: a representative of a unique four-helix-bundle superfamily. Acta Cryst. F66, 219-224.

T. Ouisse, D. Chaussende & L. Auvray (2010). Micropipe-induced birefringence in 6H silicon carbide. J. Appl. Cryst. 43, 122-133.

E. D. Specht, F. J. Walker & W. Liu (2010). X-ray microdiffraction analysis of radiation-induced defects in single grains of polycrystalline Fe. J. Synchrotron Rad. 17, 250-256.

H. Burzlaff & H. Zimmermann (2009). On symmetry classes of crystal structures. Acta Cryst. A65, 456-465.

A. Sazonov, M. Meven, V. Hutanu, G. Heger, T. Hansen & A. Gukasov (2009). Magnetic behaviour of synthetic Co₂SiO₄. Acta Cryst. B65, 664-675.

I. A. Guzei, C. Wang, Y. Zhan, O. V. Dolomanov & Y.-Q. Cheng (2009). Pseudomerohedrally twinned monoclinic structure of unfolded `free' nonactin: comparative analysis of its large conformational change upon encapsulation of alkali metal ions. Acta Cryst. C65, o521-o524.

J. Mailliet, G. Psakis, C. Schroeder, S. Kaltofen, U. Dürrwang, J. Hughes & L.-O. Essen (2009). Dwelling in the dark: procedures for the crystallography of phytochromes and other photochromic proteins. Acta Cryst. D65, 1232-1235.

M.-G. Hernández Linares, J. Sandoval Ramírez, S. Meza Reyes, S. Montiel Smith & S. Bernès (2009). The zwitterion (23'E)-(23R,25S)-23-[1-(oxidoiminio)ethyl]-5-spirostan-3-yl acetate. Acta Cryst. E65, o2954-o2955.

S. V. Antonyuk, R. W. Strange, M. J. Ellis, Y. Bessho, S. Kuramitsu, A. Shinkai, S. Yokoyama & S. S. Hasnain (2009). Structure of hypothetical Mo-cofactor biosynthesis protein B (ST2315) from Sulfolobus tokodaii. Acta Cryst. F65, 1200-1203.

S. V. Antonyuk, M. J. Ellis, R. W. Strange, Y. Bessho, S. Kuramitsu, A. Shinkai, S. Yokoyama & S. S. Hasnain (2009). Structure of SurE protein from Aquifex aeolicus VF5 at 1.5 Å resolution. Acta Cryst. F65, 1204-1208.

S. V. Antonyuk, R. W. Strange, M. J. Ellis, Y. Bessho, S. Kuramitsu, Y. Inoue, S. Yokoyama & S. S. Hasnain (2009). Structure of D-lactate dehydrogenase from Aquifex aeolicus complexed with NAD⁺ and lactic acid (or pyruvate). Acta Cryst. F65, 1209-1213.

R. W. Strange, S. V. Antonyuk, M. J. Ellis, Y. Bessho, S. Kuramitsu, S. Yokoyama & S. S. Hasnain (2009). The structure of an archaeal ribose-5-phosphate isomerase from Methanocaldococcus jannaschii (MJ1603). Acta Cryst. F65, 1214-1217.

R. W. Strange, S. V. Antonyuk, M. J. Ellis, Y. Bessho, S. Kuramitsu, A. Shinkai, S. Yokoyama & S. S. Hasnain (2009). Structure of a putative -phosphoglucomutase (TM1254) from Thermotoga maritima. Acta Cryst. F65, 1218-1221.

B. Padmanabhan, R. W. Strange, S. V. Antonyuk, M. J. Ellis, S. S. Hasnain, H. Iino, Y. Agari, Y. Bessho & S. Yokoyama (2009). Structure of dihydrodipicolinate synthase from Methanocaldococcus jannaschii. Acta Cryst. F65, 1222-1226.

A. D. Malay, Y. Bessho, M. J. Ellis, S. V. Antonyuk, R. W. Strange, S. S. Hasnain, A. Shinkai, B. Padmanabhan & S. Yokoyama (2009). Structure of glyceraldehyde-3-phosphate dehydrogenase from the archaeal hyperthermophile Methanocaldococcus jannaschii. Acta Cryst. F65, 1227-1233.

B. Padmanabhan, Y. Bessho, A. Ebihara, S. V. Antonyuk, M. J. Ellis, R. W. Strange, S. Kuramitsu, N. Watanabe, S. S. Hasnain & S. Yokoyama (2009). Structure of putative 4-amino-4-deoxychorismate lyase from Thermus thermophilus HB8. Acta Cryst. F65, 1234-1239.

S. Send, M. von Kozierowski, T. Panzner, S. Gorfman, K. Nurdan, A. H. Walenta, U. Pietsch, W. Leitenberger, R. Hartmann & L. Strüder (2009). Energy-dispersive Laue diffraction by means of a frame-store pnCCD. J. Appl. Cryst. 42, 1139-1146.

A. Biermanns, A. Davydok, H. Paetzelt, A. Diaz, V. Gottschalch, T. H. Metzger & U. Pietsch (2009). Individual GaAs nanorods imaged by coherent X-ray diffraction. J. Synchrotron Rad. 16, 796-802.

A. A. Hoser, P. M. Dominiak & K. Wozniak (2009). Towards the best model for H atoms in experimental charge-density refinement. Acta Cryst. A65, 300-311.

T. Wagner & A. Schönleber (2009). A non-mathematical introduction to the superspace description of modulated structures. Acta Cryst. B65, 249-268.

J.-M. Ha & V. Young (2009). Enantiotropic phase transition and twinning in 2,2,3,3,4,4-hexafluoropentane-1,5-diol. Acta Cryst. C65, o388-o395.

S. Pletnev, K. S. Morozova, V. V. Verkhusha & Z. Dauter (2009). Rotational order-disorder structure of fluorescent protein FP480. Acta Cryst. D65, 906-912.

S. Hare, P. Cherepanov & J. Wang (2009). Application of general formulas for the correction of a lattice-translocation defect in crystals of a lentiviral integrase in complex with LEDGF. Acta Cryst. D65, 966-973.

Y. Tsai, M. R. Sawaya & T. O. Yeates (2009). Analysis of lattice-translocation disorder in the layered hexagonal structure of carboxysome shell protein CsoS1C. Acta Cryst. D65, 980-988.

A. Taheri & S. M. Moosavi (2009). N³,N⁶,2,5,7-Pentaphenyl-2,5,7-triazabicyclo[2.2.1]heptane-3,6-diamine. Acta Cryst. E65, o1724.

Y. Yamaguchi, G. Sato, Y. Yamagata, Y. Doi, J. Wachino, Y. Arakawa, K. Matsuda & H. Kurosaki (2009). Structure of AmpC -lactamase (AmpC^D) from an Escherichia coli clinical isolate with a tripeptide deletion (Gly286-Ser287-Asp288) in the H10 helix. Acta Cryst. F65, 540-543.

N. Barrière, J. Rousselle, P. von Ballmoos, N. V. Abrosimov, P. Courtois, P. Bastie, T. Camus, M. Jentschel, V. N. Kurlov, L. Natalucci, G. Roudil, N. Frisch Brejnholt & D. Serre (2009). Experimental and theoretical study of the diffraction properties of various crystals for the realization of a soft gamma-ray Laue lens. J. Appl. Cryst. 42, 834-845.

S. A. McDonald, F. Marone, C. Hintermüller, G. Mikuljan, C. David, F. Pfeiffer & M. Stampanoni (2009). Advanced phase-contrast imaging using a grating interferometer. J. Synchrotron Rad. 16, 562-572.

C. L. Farrow & S. J. L. Billinge (2009). Relationship between the atomic pair distribution function and small-angle scattering: implications for modeling of nanoparticles. Acta Cryst. A65, 232-239.

G. M. Day, T. G. Cooper, A. J. Cruz-Cabeza, K. E. Hejczyk, H. L. Ammon, S. X. M. Boerrigter, J. S. Tan, R. G. Della Valle, E. Venuti, J. Jose, S. R. Gadre, G. R. Desiraju, T. S. Thakur, B. P. van Eijck, J. C. Facelli, V. E. Bazterra, M. B. Ferraro, D. W. M. Hofmann, M. A. Neumann, F. J. J. Leusen, J. Kendrick, S. L. Price, A. J. Misquitta, P. G. Karamertzanis, G. W. A. Welch, H. A. Scheraga, Y. A. Arnautova, M. U. Schmidt, J. van de Streek, A. K. Wolf & B. Schweizer (2009). Significant progress in predicting the crystal structures of small organic molecules - a report on the fourth blind test. Acta Cryst. B65, 107-125.

T. R. Amarante, I. S. Gonçalves & F. A. Almeida Paz (2009). Mo₄(³-allyl)₄Cl₂(OH)₂(CO)₈: the first cubane-type Mo²⁺ organometallic complex with ₃-OH and ₃-Cl bridges. Acta Cryst. C65, m168-m170.

P. M. Dominiak, A. Volkov, A. P. Dominiak, K. N. Jarzembska & P. Coppens (2009). Combining crystallographic information and an aspherical-atom data bank in the evaluation of the electrostatic interaction energy in an enzyme-substrate complex: influenza neuraminidase inhibition. Acta Cryst. D65, 485-499.

M. M. Clark, W. W. Brennessel & P. L. Holland (2009). Bis(⁵-pentamethylcyclopentadienyl)cobalt(II). Acta Cryst. E65, m391.

S. Cameron, V. P. Martini, J. Iulek & W. N. Hunter (2009). Geobacillus stearothermophilus 6-phosphogluconate dehydrogenase complexed with 6-phosphogluconate. Acta Cryst. F65, 450-454.

E. Banachowicz, M. Kozak, A. Patkowski, G. Meier & J. Kohlbrecher (2009). High-pressure small-angle neutron scattering studies of glucose isomerase conformation in solution. J. Appl. Cryst. 42, 461-468.

E. M. Dufresne, S. B. Dierker, Z. Yin & L. Berman (2009). Development of new apertures for coherent X-ray experiments. J. Synchrotron Rad. 16, 358-367.

V. L. Shneerson & D. K. Saldin (2009). Molecular shapes from small-angle X-ray scattering: extension of the theory to higher scattering angles. Acta Cryst. A65, 128-134.

R. E. Dinnebier, B. Hinrichsen, A. Lennie & M. Jansen (2009). High-pressure crystal structure of the non-linear optical compound BiB₃O₆ from two-dimensional powder diffraction data. Acta Cryst. B65, 1-10.

A. L. Thompson, D. J. Watkin, Z. A. Gal, L. Jones, J. Hollinshead, S. F. Jenkinson, G. W. J. Fleet & R. J. Nash (2008). The absolute configuration of 1-epialexine hemihydrate. Acta Cryst. C64, o649-o652.

K. Lakomek, A. Dickmanns, U. Mueller, K. Kollmann, F. Deuschl, A. Berndt, T. Lübke & R. Ficner (2009). De novo sulfur SAD phasing of the lysosomal 66.3 kDa protein from mouse. Acta Cryst. D65, 220-228.

W. Gul, P. Carvalho, A. Galal, M. A. Avery & M. A. El Sohly (2009). 5-{[(3R,5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-Trimethylperhydro-3,12-epoxy-1,2-dioxepino[4,3-i]isochromen-10-yl]oxymethyl}benzene-1,3-diol. Acta Cryst. E65, o358-o359.

C. E. Nichols, S. Sainsbury, J. Ren, T. S. Walter, A. Verma, D. K. Stammers, N. J. Saunders & R. J. Owens (2009). The structure of NMB1585, a MarR-family regulator from Neisseria meningitidis. Acta Cryst. F65, 204-209.

L. Ehm, F. M. Michel, S. M. Antao, C. D. Martin, P. L. Lee, S. D. Shastri, P. J. Chupas & J. B. Parise (2009). Structural changes in nanocrystalline mackinawite (FeS) at high pressure. J. Appl. Cryst. 42, 15-21.

T. Sato, S. Nozawa, K. Ichiyanagi, A. Tomita, M. Chollet, H. Ichikawa, H. Fujii, S. Adachi & S. - Koshihara (2009). Capturing molecular structural dynamics by 100 ps time-resolved X-ray absorption spectroscopy. J. Synchrotron Rad. 16, 110-115.

T. Weber, A. Simon, H. Mattausch, L. Kienle & O. Oeckler (2008). Reliability of Monte Carlo simulations of disordered structures optimized with evolutionary algorithms exemplified with diffuse scattering from La_0.70(1)(Al_0.14(1)I_0.86(1)). Acta Cryst. A64, 641-653.

L. Elcoro, J. M. Perez-Mato, K. Friese, V. Petrícek, T. Balic-Zunic & L. A. Olsen (2008). Modular crystals as modulated structures: the case of the lillianite homologous series. Acta Cryst. B64, 684-701.

A. L. Hector, M. Jura, W. Levason, G. Reid, S. D. Reid & M. Webster (2008). [{Cp₂(^tBuSe)Nb}₂E] (E = O and Se) with bridging oxide or selenide ligands. Acta Cryst. C64, m321-m323.

T. Beck, A. Krasauskas, T. Gruene & G. M. Sheldrick (2008). A magic triangle for experimental phasing of macromolecules. Acta Cryst. D64, 1179-1182.

S. J. Coles, A. Sengul, O. Kurt & S. Altin (2008). {N,N'-Bis[1-(2-pyridyl)ethylidene]ethane-1,2-diamine-⁴N,N',N'',N'''}bis(trifluoromethanesulfanato-O)copper(II). Acta Cryst. E64, m1435.

M. W. Vetting, J. C. Errey & J. S. Blanchard (2008). Rv0802c from Mycobacterium tuberculosis: the first structure of a succinyltransferase with the GNAT fold. Acta Cryst. F64, 978-985.

I. G. Wood, L. Vocadlo, D. P. Dobson, G. D. Price, A. D. Fortes, F. J. Cooper, J. W. Neale, A. M. Walker, W. G. Marshall, M. G. Tucker, D. J. Francis, H. J. Stone & C. A. McCammon (2008). Thermoelastic properties of magnesiowüstite, (Mg_1-xFe_x)O: determination of the Anderson-Grüneisen parameter by time-of-flight neutron powder diffraction at simultaneous high pressures and temperatures. J. Appl. Cryst. 41, 886-896.

S. Boutet & I. K. Robinson (2008). Coherent X-ray diffractive imaging of protein crystals. J. Synchrotron Rad. 15, 576-583.

P. Munshi, A. Ø. Madsen, M. A. Spackman, S. Larsen & R. Destro (2008). Estimated H-atom anisotropic displacement parameters: a comparison between different methods and with neutron diffraction results. Acta Cryst. A64, 465-475.

Z. F. Weng, W. D. S. Motherwell, F. H. Allen & J. M. Cole (2008). Conformational variability of molecules in different crystal environments: a database study. Acta Cryst. B64, 348-362.

M. Lutz & A. M. M. Schreurs (2008). Was Bijvoet right? Sodium rubidium (+)-tartrate tetrahydrate revisited. Acta Cryst. C64, m296-m299.

C. L. Lawson, S. Dutta, J. D. Westbrook, K. Henrick & H. M. Berman (2008). Representation of viruses in the remediated PDB archive. Acta Cryst. D64, 874-882.

J. M. Chitanda, J. W. Quail & S. R. Foley (2008). N-(2,6-Diisopropylphenyl)formamide. Acta Cryst. E64, o1728.

R. Gu, M. Li, C.-C. Su, F. Long, M. D. Routh, F. Yang, G. McDermott & E. W. Yu (2008). Conformational change of the AcrR regulator reveals a possible mechanism of induction. Acta Cryst. F64, 584-588.

J. J. Lovelace, C. R. Murphy, L. Daniels, K. Narayan, C. E. Schutt, U. Lindberg, C. Svensson & G. E. O. Borgstahl (2008). Protein crystals can be incommensurately modulated. J. Appl. Cryst. 41, 600-605.

J. Chaboy, M. Á. Laguna-Marco, C. Piquer, R. Boada, H. Maruyama & N. Kawamura (2008). Disentanglement of magnetic contributions in multi-component systems by using X-ray magnetic circular dichroism at a single absorption edge. J. Synchrotron Rad. 15, 440-448.

S. J. Fisher & J. R. Helliwell (2008). An investigation into structural changes due to deuteration. Acta Cryst. A64, 359-367.

J. B. van Mechelen, R. Peschar & H. Schenk (2008). Structures of mono-unsaturated triacylglycerols. III. The -2 polymorphs of trans-mono-unsaturated triacylglycerols and related fully saturated triacylglycerols. Acta Cryst. B64, 240-248.

J. B. van Mechelen, R. Peschar & H. Schenk (2008). Structures of mono-unsaturated triacylglycerols. IV. The highest melting '-2 polymorphs of trans-mono-unsaturated triacylglycerols and related saturated TAGs and their polymorphic stability. Acta Cryst. B64, 249-259.

W. T. A. Harrison (2008). Two scandium-biuret complexes: [Sc(C₂H₅N₃O₂)(H₂O)₅]Cl₃·H₂O and [Sc(C₂H₅N₃O₂)₄](NO₃)₃. Acta Cryst. C64, m205-m208.

B. Guillot, C. Jelsch, A. Podjarny & C. Lecomte (2008). Charge-density analysis of a protein structure at subatomic resolution: the human aldose reductase case. Acta Cryst. D64, 567-588.

I. Y. H. Chan, R. Bishop, D. C. Craig, M. L. Scudder & W. Yue (2008). 8-Methyl-5-methylene-2-oxotricyclo[5.3.1.1^3,9]dodecan-endo-8-ol. Acta Cryst. E64, o841.

C. Mueller-Dieckmann, S. Kernstock, J. Mueller-Dieckmann, M. S. Weiss & F. Koch-Nolte (2008). Structure of mouse ADP-ribosylhydrolase 3 (mARH3). Acta Cryst. F64, 156-162.

Y. I. Nesterets & S. W. Wilkins (2008). Evaluation of the focusing performance of bent Laue crystals using wave-optical theory. J. Appl. Cryst. 41, 237-248.

H. H. Harris, S. Vogt, H. Eastgate, D. G. Legnini, B. Hornberger, Z. Cai, B. Lai & P. A. Lay (2008). Migration of mercury from dental amalgam through human teeth. J. Synchrotron Rad. 15, 123-128.

C. J. Gilmore, W. Dong & D. L. Dorset (2008). Solving the crystal structures of zeolites using electron diffraction data. I. The use of potential-density histograms. Acta Cryst. A64, 284-294.

C. J. Gilmore, W. Dong & D. L. Dorset (2008). Solving the crystal structures of zeolites using electron diffraction data. II. Density-building functions. Acta Cryst. A64, 295-302.

A. Arakcheeva & G. Chapuis (2008). Capabilities and limitations of a (3 + d)-dimensional incommensurately modulated structure as a model for the derivation of an extended family of compounds: example of the scheelite-like structures. Acta Cryst. B64, 12-25.

P. Thuéry (2008). One-dimensional uranium-organic framework in catena-poly[[di-₂-hydroxido-bis[dioxouranium(VI)]]-di-₂-2-pyridylacetato-³O,N:O';³O:O',N]. Acta Cryst. C64, m50-m52.

R. Moukhametzianov, M. Burghammer, P. C. Edwards, S. Petitdemange, D. Popov, M. Fransen, G. McMullan, G. F. X. Schertler & C. Riekel (2008). Protein crystallography with a micrometre-sized synchrotron-radiation beam. Acta Cryst. D64, 158-166.

G. A. Boyle, T. Govender, H. G. Kruger & G. E. M. Maguire (2008). 8-(Biphenyl-4-yl)-8-hydroxypentacyclo[5.4.0.0^2,6.0^3,10.0^5,9]undecan-11-one ethylene ketal. Acta Cryst. E64, o283.

Y. Wada, H. Tanaka, E. Yamashita, C. Kubo, T. Ichiki-Uehara, E. Nakazono-Nagaoka, T. Omura & T. Tsukihara (2008). The structure of melon necrotic spot virus determined at 2.8 Å resolution. Acta Cryst. F64, 8-13.

P. Colombi, D. K. Agnihotri, V. E. Asadchikov, E. Bontempi, D. K. Bowen, C. H. Chang, L. E. Depero, M. Farnworth, T. Fujimoto, A. Gibaud, M. Jergel, M. Krumrey, T. A. Lafford, A. Lamperti, T. Ma, R. J. Matyi, M. Meduna, S. Milita, K. Sakurai, L. Shabel'nikov, A. Ulyanenkov, A. Van der Lee & C. Wiemer (2008). Reproducibility in X-ray reflectometry: results from the first world-wide round-robin experiment. J. Appl. Cryst. 41, 143-152.

K. Krug, L. Porra, P. Coan, A. Wallert, J. Dik, A. Coerdt, A. Bravin, M. Elyyan, P. Reischig, L. Helfen & T. Baumbach (2008). Relics in medieval altarpieces? Combining X-ray tomographic, laminographic and phase-contrast imaging to visualize thin organic objects in paintings. J. Synchrotron Rad. 15, 55-61.

A. Kudlicki, M. Rowicka & Z. Otwinowski (2007). The crystallographic fast Fourier transform. Recursive symmetry reduction. Acta Cryst. A63, 465-480.

C. Buchsbaum & M. U. Schmidt (2007). Rietveld refinement of a wrong crystal structure. Acta Cryst. B63, 926-932.

U. Böhme & I. C. Foehn (2007). Two modifications of a five-coordinate silicon complex. Acta Cryst. C63, o613-o616.

I. Usón, C. E. M. Stevenson, D. M. Lawson & G. M. Sheldrick (2007). Structure determination of the O-methyltransferase NovP using the `free lunch algorithm' as implemented in SHELXE. Acta Cryst. D63, 1069-1074.

M. D. H. Bhuiyan, P. Jensen & A. C. Try (2007). 2,8-Dimethoxy-4,10-dimethyl-1,3,7,9-tetranitro-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine. Acta Cryst. E63, o4393.

H. Ghadbane, A. K. Brown, L. Kremer, G. S. Besra & K. Fütterer (2007). Structure of Mycobacterium tuberculosis mtFabD, a malonyl-CoA:acyl carrier protein transacylase (MCAT). Acta Cryst. F63, 831-835.

C. Cayron (2007). ARPGE: a computer program to automatically reconstruct the parent grains from electron backscatter diffraction data. J. Appl. Cryst. 40, 1183-1188.

I. A. Vartanyants, I. K. Robinson, I. McNulty, C. David, P. Wochner & Th. Tschentscher (2007). Coherent X-ray scattering and lensless imaging at the European XFEL Facility. J. Synchrotron Rad. 14, 453-470.

O. Bunk, A. Diaz, F. Pfeiffer, C. David, B. Schmitt, D. K. Satapathy & J. F. van der Veen (2007). Diffractive imaging for periodic samples: retrieving one-dimensional concentration profiles across microfluidic channels. Acta Cryst. A63, 306-314.

A. W. S. Johnson (2007). Chiral determination: direct interpretation of convergent-beam electron diffraction patterns using the series expansion of Cowley and Moodie. Acta Cryst. B63, 511-520.

M. Dennehy, O. V. Quinzani & R. A. Burrow (2007). Poly[(₃-1,1-dioxo-1,2-benzoisothiazole-3-thiolato-³N:S³:S³)silver(I)]. Acta Cryst. C63, m395-m397.

E. N. Brown & S. Ramaswamy (2007). Quality of protein crystal structures. Acta Cryst. D63, 941-950.

K. Yamada, D. Hashizume, T. Shimizu & S. Yokoyama (2007). L-Asparagine. Acta Cryst. E63, o3802-o3803.

W. S. Tan, I. W. McNae, K. L. Ho & M. D. Walkinshaw (2007). Crystallization and X-ray analysis of the T = 4 particle of hepatitis B capsid protein with an N-terminal extension. Acta Cryst. F63, 642-647.

N. A. Grigoryeva, S. V. Grigoriev, H. Eckerlebe, A. A. Eliseev, A. V. Lukashin & K. S. Napolskii (2007). Polarized small-angle neutron scattering study of two-dimensional spatially ordered systems of nickel nanowires. J. Appl. Cryst. 40, s532-s536.

G. A. Johansson, T. Tyliszczak, G. E. Mitchell, M. H. Keefe & A. P. Hitchcock (2007). Three-dimensional chemical mapping by scanning transmission X-ray spectromicroscopy. J. Synchrotron Rad. 14, 395-402.

H. D. Flack & U. Shmueli (2007). The mean-square Friedel intensity difference in P1 with a centrosymmetric substructure. Acta Cryst. A63, 257-265.

A. Vegas & V. García-Baonza (2007). Pseudoatoms and preferred skeletons in crystals. Acta Cryst. B63, 339-345.

G. J. Perpétuo & J. Janczak (2007). 2,4,6-Triamino-1,3,5-triazine-1H-isoindole-1,3(2H)-dione (1/3). Acta Cryst. C63, o301-o302.

R. M. Keegan & M. D. Winn (2007). Automated search-model discovery and preparation for structure solution by molecular replacement. Acta Cryst. D63, 447-457.

C. J. McAdam, B. H. Robinson & J. Simpson (2007). 11-Bromo-1-ferrocenylundecan-1-one. Acta Cryst. E63, m1362.

T. K. Nielsen, C. Hildmann, D. Riester, D. Wegener, A. Schwienhorst & R. Ficner (2007). Complex structure of a bacterial class 2 histone deacetylase homologue with a trifluoromethylketone inhibitor. Acta Cryst. F63, 270-273.

M. Servidori (2007). Determination by high-resolution X-ray diffraction of shape, size and lateral separation of buried empty channels in silicon-on-nothing architectures. J. Appl. Cryst. 40, 338-343.

A. Plech, V. Kotaidis, K. Istomin & M. Wulff (2007). Small-angle pump-probe studies of photoexcited nanoparticles. J. Synchrotron Rad. 14, 288-294.

B. Zarychta, V. Pichon-Pesme, B. Guillot, C. Lecomte & C. Jelsch (2007). On the application of an experimental multipolar pseudo-atom library for accurate refinement of small-molecule and protein crystal structures. Acta Cryst. A63, 108-125.

P. H. J. Mercier, Z. Dong, T. Baikie, Y. Le Page, T. J. White, P. S. Whitfield & L. D. Mitchel (2007). Ab initio constrained crystal-chemical Rietveld refinement of Ca₁₀(V_xP_1 - xO₄)₆F₂ apatites. Acta Cryst. B63, 37-48.

K. Ravikumar & B. Sridhar (2007). Dorzolamide hydrochloride: an antiglaucoma agent. Acta Cryst. C63, o108-o110.

S. B. Larson, J. S. Day, R. Cudney & A. McPherson (2007). A novel strategy for the crystallization of proteins: X-ray diffraction validation. Acta Cryst. D63, 310-318.

I. Novak & D. Li (2007). 1,2,3-Triiodobenzene. Acta Cryst. E63, o438-o439.

C. Meier, L. G. Carter, G. Winter, R. J. Owens, D. I. Stuart & R. M. Esnouf (2007). Structure of 5-formyltetrahydrofolate cyclo-ligase from Bacillus anthracis (BA4489). Acta Cryst. F63, 168-172.

W. Wagermaier, H. S. Gupta, A. Gourrier, O. Paris, P. Roschger, M. Burghammer, C. Riekel & P. Fratzl (2007). Scanning texture analysis of lamellar bone using microbeam synchrotron X-ray radiation. J. Appl. Cryst. 40, 115-120.

J. Wang, H. D. H. Stöver, A. P. Hitchcock & T. Tyliszczak (2007). Chemically selective soft X-ray patterning of polymers. J. Synchrotron Rad. 14, 181-190.

R. Colella & Q. Shen (2006). Resonant scattering and multiple Bragg X-ray diffraction in LaMnO₃; a classical view. Acta Cryst. A62, 459-462.

W. I. F. David, R. M. Ibberson, S. F. J. Cox & P. T. Wood (2006). Order-disorder transition in monoclinic sulfur: a precise structural study by high-resolution neutron powder diffraction. Acta Cryst. B62, 953-959.

H. Yuge, T. K. Miyamoto, T. Kikuchi & Y. Iwasaki (2006). The first metalloporphyrin dimer linked by a bridging phenylenedicarbene ligand. Acta Cryst. C62, m594-m596.

T. Petrova, S. Ginell, A. Mitschler, I. Hazemann, T. Schneider, A. Cousido, V. Y. Lunin, A. Joachimiak & A. Podjarny (2006). Ultrahigh-resolution study of protein atomic displacement parameters at cryotemperatures obtained with a helium cryostat. Acta Cryst. D62, 1535-1544.

K. Molcanov, B. Kojic-Prodic, N. Basaric & K. Mlinaric-Majerski (2006). 3-Acetamidoadamantane-1-carboxylic acid. Acta Cryst. E62, o5406-o5408.

F. Wang, X. - Liu, H. Li, K. - Liang, J. N. Miner, M. Hong, E. A. Kallel, A. van Oeveren, L. Zhi & T. Jiang (2006). Structure of the ligand-binding domain (LBD) of human androgen receptor in complex with a selective modulator LGD2226. Acta Cryst. F62, 1067-1071.

M. Warkentin, V. Berejnov, N. S. Husseini & R. E. Thorne (2006). Hyperquenching for protein cryocrystallography. J. Appl. Cryst. 39, 805-811.

F. Livet, F. Bley, F. Ehrburger-Dolle, I. Morfin, E. Geissler & M. Sutton (2006). X-ray intensity fluctuation spectroscopy by heterodyne detection. J. Synchrotron Rad. 13, 453-458.

A. Janner (2006). Towards a classification of icosahedral viruses in terms of indexed polyhedra. Acta Cryst. A62, 319-330.

A. E. Whitten & M. A. Spackman (2006). Anisotropic displacement parameters for H atoms using an ONIOM approach. Acta Cryst. B62, 875-888.

R. Eisenberg & W. W. Brennessel (2006). Redetermination of the trigonal prismatic complex tris(cis-1,2-diphenylethylene-1,2-dithiolato)rhenium. Acta Cryst. C62, m464-m466.

I. M. Berry, O. Dym, R. M. Esnouf, K. Harlos, R. Meged, A. Perrakis, J. L. Sussman, T. S. Walter, J. Wilson & A. Messerschmidt (2006). SPINE high-throughput crystallization, crystal imaging and recognition techniques: current state, performance analysis, new technologies and future aspects. Acta Cryst. D62, 1137-1149.

F. Li, H.-D. Yin, J. Zhai & D.-Q. Wang (2006). Tris(N,N-dibenzylcarbamato-²S,S')bismuth(III). Acta Cryst. E62, m2552-m2554.

C. R. Faehnle, X. Liu, A. Pavlovsky & R. E. Viola (2006). The initial step in the archaeal aspartate biosynthetic pathway catalyzed by a monofunctional aspartokinase. Acta Cryst. F62, 962-966.

I. M. Kötschau & H. W. Schock (2006). Compositional depth profiling of polycrystalline thin films by grazing-incidence X-ray diffraction. J. Appl. Cryst. 39, 683-696.

K. Uesugi, T. Sera & N. Yagi (2006). Fast tomography using quasi-monochromatic undulator radiation. J. Synchrotron Rad. 13, 403-407.

P. Thibault, V. Elser, C. Jacobsen, D. Shapiro & D. Sayre (2006). Reconstruction of a yeast cell from X-ray diffraction data. Acta Cryst. A62, 248-261.

P. W. Barnes, M. W. Lufaso & P. M. Woodward (2006). Structure determination of A₂M³⁺TaO₆ and A₂M³⁺NbO₆ ordered perovskites: octahedral tilting and pseudosymmetry. Acta Cryst. B62, 384-396.

M. W. Lufaso, P. W. Barnes & P. M. Woodward (2006). Structure prediction of ordered and disordered multiple octahedral cation perovskites using SPuDS. Acta Cryst. B62, 397-410.

F. Geng, G.-H. Han & B.-Z. Lin (2006). Bis(iminodiethylenediammonium) di-₅-hydrogenphosphato-pentamolybdate(VI) tetrahydrate. Acta Cryst. C62, m355-m357.

K. Cowtan (2006). The Buccaneer software for automated model building. 1. Tracing protein chains. Acta Cryst. D62, 1002-1011.

L. R. Whiteaker, U. Pal Chaudhuri, D. R. Powell & R. P. Houser (2006). 2,2,2-Triphenyl-N-(2-pyridylmethyl)acetamide. Acta Cryst. E62, o3339-o3340.

B. K. Biswal, K. Au, M. M. Cherney, C. Garen & M. N. G. James (2006). The molecular structure of Rv2074, a probable pyridoxine 5'-phosphate oxidase from Mycobacterium tuberculosis, at 1.6 Å resolution. Acta Cryst. F62, 735-742.

N. Menou, Ch. Muller, L. Goux, R. Barrett, J. G. Lisoni, M. Schwitters & D. J. Wouters (2006). Microstructural analysis of integrated pin-shaped two-dimensional and three-dimensional ferroelectric capacitors from micro-focused synchrotron X-ray techniques. J. Appl. Cryst. 39, 376-384.

J. Wong, E. M. Larson, P. A. Waide & R. Frahm (2006). Combustion front dynamics in the combustion synthesis of refractory metal carbides and di-borides using time-resolved X-ray diffraction. J. Synchrotron Rad. 13, 326-335.

S. Gorfman, V. Tsirelson, A. Pucher, W. Morgenroth & U. Pietsch (2006). X-ray diffraction by a crystal in a permanent external electric field: electric-field-induced structural response in -GaPO₄. Acta Cryst. A62, 1-10.

I. Turowska-Tyrk, E. Trzop, J. R. Scheffer & S. Chen (2006). Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization. Acta Cryst. B62, 128-134.

K. Stahl, J. Oddershede, H. Preikschat, E. Fischer & J. S. Bennekou (2006). Ammonium 1-hydroxy-2-(2-pyridinio)ethane-1,1-diyldiphosphonate dihydrate and potassium 1-hydroxy-2-(2-pyridinio)ethane-1,1-diyldiphosphonate dihydrate. Acta Cryst. C62, m112-m115.

X. Vernede, B. Lavault, J. Ohana, D. Nurizzo, J. Joly, L. Jacquamet, F. Felisaz, F. Cipriani & D. Bourgeois (2006). UV laser-excited fluorescence as a tool for the visualization of protein crystals mounted in loops. Acta Cryst. D62, 253-261.

M. Weil (2006). Ammonium hydrogenselenate(IV). Acta Cryst. E62, i38-i40.

M. A. Holmes, F. S. Buckner, W. C. Van Voorhis, C. Mehlin, E. Boni, T. N. Earnest, G. DeTitta, J. Luft, A. Lauricella, L. Anderson, O. Kalyuzhniy, F. Zucker, L. W. Schoenfeld, W. G. J. Hol & E. A. Merritt (2006). Structure of the conserved hypothetical protein MAL13P1.257 from Plasmodium falciparum. Acta Cryst. F62, 180-185.

P. Scardi & M. Leoni (2006). Line profile analysis: pattern modelling versus profile fitting. J. Appl. Cryst. 39, 24-31.

S. Boutet & I. K. Robinson (2006). Radiation driven collapse of protein crystals. J. Synchrotron Rad. 13, 1-7.

A. Celik-Aktas, J.-M. Zuo, J. F. Stubbins, C. Tang & Y. Bando (2005). Double-helix structure in multiwall boron nitride nanotubes. Acta Cryst. A61, 533-541.

P. H. J. Mercier, Y. Le Page, P. S. Whitfield, L. D. Mitchell, I. J. Davidson & T. J. White (2005). Geometrical parameterization of the crystal chemistry of P6₃/m apatites: comparison with experimental data and ab initio results. Acta Cryst. B61, 635-655.

I. A. Guzei, R. W. McGaff & H. M. Kieler (2005). Why magnesium is five-coordinate in methanol(phthalocyaninato)magnesium(II). Acta Cryst. C61, m472-m475.

Y. Jia-xing, M. M. Woolfson, K. S. Wilson & E. J. Dodson (2005). A modified ACORN to solve protein structures at resolutions of 1.7 Å or better. Acta Cryst. D61, 1465-1475.

G. S. Nichol & W. Clegg (2005). Violuric acid monohydrate: a definitive redetermination at 150 K. Acta Cryst. E61, o3788-o3790.

C. Zhan, E. V. Fedorov, W. Shi, U. A. Ramagopal, R. Thirumuruhan, B. A. Manjasetty, S. C. Almo, A. Fiser, M. R. Chance & A. A. Fedorov (2005). The ybeY protein from Escherichia coli is a metalloprotein. Acta Cryst. F61, 959-963.

A. N. Ozerin, D. I. Svergun, V. V. Volkov, A. I. Kuklin, V. I. Gordelyi, A. Kh. Islamov, L. A. Ozerina & D. S. Zavorotnyuk (2005). The spatial structure of dendritic macromolecules. J. Appl. Cryst. 38, 996-1003.

A. Madsen, T. Seydel, M. Tolan & G. Grübel (2005). Grazing-incidence scattering of coherent X-rays from a liquid surface. J. Synchrotron Rad. 12, 786-794.

D. L. Dorset, W. J. Roth & C. J. Gilmore (2005). Electron crystallography of zeolites - the MWW family as a test of direct 3D structure determination. Acta Cryst. A61, 516-527.

K. Lukaszewicz, A. Pietraszko & M. Kucharska (2005). Diffuse scattering and ordering in the short-range modulated paraelectric phase of sodium nitrite, NaNO₂. Acta Cryst. B61, 473-480.

G. J. Gainsford & T. Kemmitt (2005). catena-Poly[sodium(I)--tetraethoxyborato]. Acta Cryst. C61, m417-m418.

I. Hazemann, M. T. Dauvergne, M. P. Blakeley, F. Meilleur, M. Haertlein, A. Van Dorsselaer, A. Mitschler, D. A. A. Myles & A. Podjarny (2005). High-resolution neutron protein crystallography with radically small crystal volumes: application of perdeuteration to human aldose reductase. Acta Cryst. D61, 1413-1417.

K. Ravikumar & B. Sridhar (2005). Ezetimibe monohydrate. Acta Cryst. E61, o2907-o2909.

E. Bitto, C. A. Bingman, H. Robinson, S. T. M. Allard, G. E. Wesenberg & G. N. Phillips Jr (2005). The structure at 2.5 Å resolution of human basophilic leukemia-expressed protein BLES03. Acta Cryst. F61, 812-817.

M.-H. Kim & C. J. Glinka (2005). Application of in situ vapor sorption small-angle neutron scattering (SANS) to semicrystalline polymers: vapor pathway and structure evolution in semicrystalline linear polyethylene. J. Appl. Cryst. 38, 734-739.

Y. Hayashi, N. Tsukuda, E. Kuramoto, Y. Tanaka & T. Ishikawa (2005). Determination of the dynamic deformation tensor by time-resolved triple-crystal diffractometry. J. Synchrotron Rad. 12, 685-689.

G. Oszlányi & A. Süto (2005). Ab initio structure solution by charge flipping. II. Use of weak reflections. Acta Cryst. A61, 147-152.

R. de Gelder & A. Janner (2005). Remarkable features in lattice-parameter ratios of crystals. I. Orthorhombic, tetragonal and hexagonal crystals. Acta Cryst. B61, 287-295.

R. de Gelder & A. Janner (2005). Remarkable features in lattice-parameter ratios of crystals. II. Monoclinic and triclinic crystals. Acta Cryst. B61, 296-303.

M. Lutz, A. L. Spek, B. C. van der Wiel & C. A. van Walree (2005). Pseudomerohedrally twinned crystal structure of 2,3-diphenylbuta-1,3-diene. Acta Cryst. C61, o300-o302.

M. E. Than, S. Henrich, G. P. Bourenkov, H. D. Bartunik, R. Huber & W. Bode (2005). The endoproteinase furin contains two essential Ca²⁺ ions stabilizing its N-terminus and the unique S1 specificity pocket. Acta Cryst. D61, 505-512.

H. Nakazawa, M. Itazaki & M. Owaribe (2005). Chloropyridinebis[tricarbonyl(⁵-cyclopentadienyl)tungstenio]indium. Acta Cryst. E61, m945-m946.

T. O'Brien, B. T. Fahr, M. M. Sopko, J. W. Lam, N. D. Waal, B. C. Raimundo, H. E. Purkey, P. Pham & M. J. Romanowski (2005). Structural analysis of caspase-1 inhibitors derived from Tethering. Acta Cryst. F61, 451-458.

K. M. Entwistle, S. J. Eichhorn & N. Navaranjan (2005). The derivation of the cellulose microfibril angle by small-angle X-ray scattering from structurally characterized softwood cell-wall populations. J. Appl. Cryst. 38, 505-511.

R. J. Hemley, H.-K. Mao & V. V. Struzhkin (2005). Synchrotron radiation and high pressure: new light on materials under extreme conditions. J. Synchrotron Rad. 12, 135-154.

R. Moret (2005). Structures, phase transitions and orientational properties of the C₆₀ monomer and polymers. Acta Cryst. A61, 62-76.

E. L. Willighagen, R. Wehrens, P. Verwer, R. de Gelder & L. M. C. Buydens (2005). Method for the computational comparison of crystal structures. Acta Cryst. B61, 29-36.

P. Angaridis, F. A. Cotton, C. A. Murillo & X.-P. Wang (2005). A paramagnetic precursor for polymeric supramolecular assemblies based on multiply bonded dimetal units: -acetato-acetonitriletris(-N,N'-diphenylformamidinato)diruthenium tetrafluoroborate dichloromethane hemisolvate. Acta Cryst. C61, m71-m73.

R. L. Owen & E. Garman (2005). A new method for predetermining the diffraction quality of protein crystals: using SOAP as a selection tool. Acta Cryst. D61, 130-140.

H. S. Yathirajan, B. Nagaraj, P. Nagaraja & M. Bolte (2005). Sildenafil citrate monohydrate. Acta Cryst. E61, o489-o491.

P. Stefankova, J. Maderova, I. Barak, M. Kollarova & Z. Otwinowski (2005). Expression, purification and X-ray crystallographic analysis of thioredoxin from Streptomyces coelicolor. Acta Cryst. F61, 164-168.

D. Lübbert, C. Ferrari, P. Mikulík, P. Pernot, L. Helfen, N. Verdi, D. Korytár & T. Baumbach (2005). Distribution and Burgers vectors of dislocations in semiconductor wafers investigated by rocking-curve imaging. J. Appl. Cryst. 38, 91-96.

M. Haumann, C. Müller, P. Liebisch, T. Neisius & H. Dau (2005). A novel BioXAS technique with sub-millisecond time resolution to track oxidation state and structural changes at biological metal centers. J. Synchrotron Rad. 12, 35-44.

L. Palatinus (2004). Ab initio determination of incommensurately modulated structures by charge flipping in superspace. Acta Cryst. A60, 604-610.

C. J. Howard & H. T. Stokes (2004). Octahedral tilting in cation-ordered perovskites - a group-theoretical analysis. Acta Cryst. B60, 674-684.

V. Langer, L Smrcok & Y. Masuda (2004). Pseudo-merohedrally twinned praseodymium hexacyanoferrate(III) tetrahydrate. Acta Cryst. C60, i104-i106.

P. Emsley & K. Cowtan (2004). Coot: model-building tools for molecular graphics. Acta Cryst. D60, 2126-2132.

A. B. Charette, C. Legault & F. Bélanger-Gariépy (2004). 3,3-Pentamethylenediaziridine. Acta Cryst. E60, o1921-o1922.

S. J. Holton, J. Dairou, J. Sandy, F. Rodrigues-Lima, J.-M. Dupret, M. E. M. Noble & E. Sim (2005). Structure of Mesorhizobium loti arylamine N-acetyltransferase 1. Acta Cryst. F61, 14-16.

A. Steuwer, J. R. Santisteban, M. Turski, P. J. Withers & T. Buslaps (2004). High-resolution strain mapping in bulk samples using full-profile analysis of energy-dispersive synchrotron X-ray diffraction data. J. Appl. Cryst. 37, 883-889.

S. Kuwamoto, S. Akiyama & T. Fujisawa (2004). Radiation damage to a protein solution, detected by synchrotron X-ray small-angle scattering: dose-related considerations and suppression by cryoprotectants. J. Synchrotron Rad. 11, 462-468.

R. D. Poulsen, A. Bentien, T. Graber & B. B. Iversen (2004). Synchrotron charge-density studies in materials chemistry: 16 K X-ray charge density of a new magnetic metal-organic framework material, [Mn₂(C₈H₄O₄)₂(C₃H₇NO)₂]. Acta Cryst. A60, 382-389.

C. H. Görbitz (2004). A crystallographic titration of the dipeptide L-isoleucyl-L-isoleucine. Acta Cryst. B60, 569-577.

J. Fábry, M. Dusek, K. Fejfarová, R. Krupková, P. Vanek & I. Nemec (2004). Two phases of bis(tetraethylammonium) di--chloro-bis[dichloropalladium(II)]. Acta Cryst. C60, m426-m430.

L. Urzhumtseva, N. Lunina, A. Fokine, J.-P. Samama, V. Y. Lunin & A. Urzhumtsev (2004). Ab initio phasing based on topological restraints: automated determination of the space group and the number of molecules in the unit cell. Acta Cryst. D60, 1519-1526.

A. Decken, C. D. Craig & F. Bottomley (2004). -Diphenylphosphido--hydrido-bis[carbonyl(⁵-cyclopentadienyl)iron(II)]. Acta Cryst. E60, m1284-m1285.

W. M. Gibson, A. J. Schultz, J. W. Richardson, J. M. Carpenter, D. F. R. Mildner, H. H. Chen-Mayer, M. E. Miller, E. R. Maxey & R. Youngman (2004). Convergent-beam neutron crystallography. J. Appl. Cryst. 37, 778-785.

Q. Shen, I. Bazarov & P. Thibault (2004). Diffractive imaging of nonperiodic materials with future coherent X-ray sources. J. Synchrotron Rad. 11, 432-438.

B. W. Reed, R. W. Minich, R. E. Rudd & M. Kumar (2004). The structure of the cubic coincident site lattice rotation group. Acta Cryst. A60, 263-277.

L. Palatinus, M. Amami & S. van Smaalen (2004). Structure of incommensurate ammonium tetrafluoroberyllate studied by structure refinements and the maximum entropy method. Acta Cryst. B60, 127-137.

C. Lee & W. T. A. Harrison (2004). The catena-arsenite chain anion, [AsO₂]_n^n-: (H₃NCH₂CH₂NH₃)_0.5[AsO₂] and NaAsO₂ (revisited). Acta Cryst. C60, m215-m218.

K. A. Kantardjieff, C.-Y. Kim, C. Naranjo, G. S. Waldo, T. Lekin, B. W. Segelke, A. Zemla, M. S. Park, T. C. Terwilliger & B. Rupp (2004). Mycobacterium tuberculosis RmlC epimerase (Rv3465): a promising drug-target structure in the rhamnose pathway. Acta Cryst. D60, 895-902.

J. R. Deschamps, D. Parrish, N. T. Zaveri & F. Jiang (2004). 1-[1-(trans-4-Isopropylcyclohexyl)piperidin-4-yl]indolin-2-one, one of a novel series of nociceptin receptor ligands. Acta Cryst. E60, o791-o792.

B. J. Campbell, T. R. Welberry, R. W. Broach, H. Hong & A. K. Cheetham (2004). Elucidation of zeolite microstructure by synchrotron X-ray diffuse scattering. J. Appl. Cryst. 37, 187-192.

A. Haznar, G. van der Laan, S. P. Collins, C. A. F. Vaz, J. A. C. Bland & S. S. Dhesi (2004). Soft X-ray resonant magnetic scattering from a Ni layer with modulated magnetic anisotropy. J. Synchrotron Rad. 11, 254-260.

W. Jauch, M. Reehuis & A. J. Schultz (2004). -ray and neutron diffraction studies of CoF₂: magnetostriction, electron density and magnetic moments. Acta Cryst. A60, 51-57.

R. J. Angel, U. Bismayer & W. G. Marshall (2004). Local and long-range order in ferroelastic lead phosphate at high pressure. Acta Cryst. B60, 1-9.

V. A. Tafeenko, R. Peschar, O. V. Kaukova, H. Schenk & L. A. Aslanov (2004). N,N-Dimethylanilinium 3-cyano-4-(dicyanomethylene)-5-oxo-4,5-dihydro-1H-pyrrol-2-olate. Acta Cryst. C60, o62-o64.

J. Czepas, Y. Devedjiev, D. Krowarsch, U. Derewenda, J. Otlewski & Z. S. Derewenda (2004). The impact of LysArg surface mutations on the crystallization of the globular domain of RhoGDI. Acta Cryst. D60, 275-280.

I. Wawrzycka-Gorczyca, A. E. Koziol, M. Glice & J. Cybulski (2004). Polymorphic form II of 2-methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepine. Acta Cryst. E60, o66-o68.

I. A. Schelokov, D. V. Roshchupkin, D. V. Irzhak & R. Tucoulou (2004). Dynamical theory for calculations of X-ray spectra from crystals modulated by surface acoustic waves. J. Appl. Cryst. 37, 52-61.

C. Riekel (2004). Recent developments in microdiffraction on protein crystals. J. Synchrotron Rad. 11, 4-6.

X. D. Zou, Z. M. Mo, S. Hovmöller, X. Z. Li & K. H. Kuo (2003). Three-dimensional reconstruction of the -AlCrFe phase by electron crystallography. Acta Cryst. A59, 526-539.

E. Pidcock, W. D. S. Motherwell & J. C. Cole (2003). A database survey of molecular and crystallographic symmetry. Acta Cryst. B59, 634-640.

J.-F. Ma, J. Yang & J.-F. Liu (2003). A novel Cd^II coordination polymer with 1,1'-(1,4-butanediyl)diimidazole. Acta Cryst. C59, m482-m483.

C. Yang, J. W. Pflugrath, D. A. Courville, C. N. Stence & J. D. Ferrara (2003). Away from the edge: SAD phasing from the sulfur anomalous signal measured in-house with chromium radiation. Acta Cryst. D59, 1943-1957.

E. Herdtweck, M. Muehlhofer & T. Strassner (2003). Dibromo(1,1'-dimethyl-3,3'-methylenediimidazoline-2,2'-diylidene)palladium(II). Acta Cryst. E59, m970-m971.

H. J. Bunge, L. Wcislak, H. Klein, U. Garbe & J. R. Schneider (2003). Texture and microstructure imaging in six dimensions with high-energy synchrotron radiation. J. Appl. Cryst. 36, 1240-1255.

I. A. Vartanyants & I. K. Robinson (2003). Imaging of quantum array structures with coherent and partially coherent diffraction. J. Synchrotron Rad. 10, 409-415.

A. Olczak, M. Cianci, Q. Hao, P. J. Rizkallah, J. Raftery & J. R. Helliwell (2003). S-SWAT (softer single-wavelength anomalous technique): potential in high-throughput protein crystallography. Acta Cryst. A59, 327-334.

M. Marchivie, P. Guionneau, J.-F. Létard & D. Chasseau (2003). Towards direct correlations between spin-crossover and structural features in iron(II) complexes. Acta Cryst. B59, 479-486.

A. R. Kennedy, J. G. MacLellan & R. E. Mulvey (2003). A new Na/Mg inverse crown ether. Acta Cryst. C59, m302-m303.

V. Campanacci, M.-P. Egloff, S. Longhi, F. Ferron, C. Rancurel, A. Salomoni, C. Durousseau, F. Tocque, N. Brémond, J. C. Dobbe, E. J. Snijder, B. Canard & C. Cambillau (2003). Structural genomics of the SARS coronavirus: cloning, expression, crystallization and preliminary crystallographic study of the Nsp9 protein. Acta Cryst. D59, 1628-1631.

M. Ramos Silva, A. Matos Beja & J. A. Paixão (2003). Pseudosymmetry in tetradecyltrimethylammonium bromide. Acta Cryst. E59, o1151-o1152.

H.-R. Wenk & S. Grigull (2003). Synchrotron texture analysis with area detectors. J. Appl. Cryst. 36, 1040-1049.

M. Masaki & S. Takano (2003). Two-dimensional visible synchrotron light interferometry for transverse beam-profile measurement at the SPring-8 storage ring. J. Synchrotron Rad. 10, 295-302.

H. A. Hauptman & D. A. Langs (2003). The phase problem in neutron crystallography. Acta Cryst. A59, 250-254.

L. J. Farrugia, P. R. Mallinson & B. Stewart (2003). Experimental charge density in the transition metal complex Mn₂(CO)₁₀: a comparative study. Acta Cryst. B59, 234-247.

P. Sawatzki, T. Mikeska, M. Nieger, M. Bolte & T. Kolter (2003). (4S,5S)-4-[(1R)-1,2-Dihydroxyethyl]-5-tridecyl-1,3-oxazolidin-2-one. Acta Cryst. C59, o225-o227.

N. M. Glykos & M. Kokkinidis (2003). Structure determination of a small protein through a 23-dimensional molecular-replacement search. Acta Cryst. D59, 709-718.

R. T. Stibrany, H. J. Schugar & J. A. Potenza (2003). 2,2'-Bis(1-ethylbenzimidazol-2-yl)biphenyl. Acta Cryst. E59, o693-o695.

M. Nusshardt & U. Bonse (2003). A Michelson interferometer for X-rays capable of high-order measurement. J. Appl. Cryst. 36, 269-279.

G. K. Shenoy, J. W. Lewellen, D. Shu & N. A. Vinokurov (2003). Variable-period undulators as synchrotron radiation sources. J. Synchrotron Rad. 10, 205-213.

H. He, S. Marchesini, M. Howells, U. Weierstall, G. Hembree & J. C. H. Spence (2003). Experimental lensless soft-X-ray imaging using iterative algorithms: phasing diffuse scattering. Acta Cryst. A59, 143-152.

M. Wunschel, R. E. Dinnebier, S. Carlson, P. Bernatowicz & S. van Smaalen (2003). Influence of the molecular structures on the high-pressure and low-temperature phase transitions of plastic crystals. Acta Cryst. B59, 60-71.

U. Geiser & J. A. Schlueter (2003). KMnAg₃(CN)₆, a new triply interpenetrating network solid. Acta Cryst. C59, i21-i23.

R. J. Morris & G. Bricogne (2003). Sheldrick's 1.2 Å rule and beyond. Acta Cryst. D59, 615-617.

K. Rajagopal, A. Mostad, R. V. Krishnakumar, M. Subha Nandhini & S. Natarajan (2003). Trichloroacetic acid at 105 K. Acta Cryst. E59, o316-o318.

W. M. Gibson, A. J. Schultz, H. H. Chen-Mayer, D. F. R. Mildner, T. Gnäupel-Herold, M. E. Miller, H. J. Prask, R. Vitt, R. Youngman & J. M. Carpenter (2002). Polycapillary focusing optic for small-sample neutron crystallography. J. Appl. Cryst. 35, 677-683.

I. Bytheway, G. S. Chandler & B. N. Figgis (2002). Can a multipole analysis faithfully reproduce topological descriptors of a total charge density?. Acta Cryst. A58, 451-459.

C. H. Görbitz (2002). An exceptionally stable peptide nanotube system with flexible pores. Acta Cryst. B58, 849-854.

M. Lutz & R. Bakker (2003). Dichlorobis(DL-proline-O)zinc(II). Acta Cryst. C59, m18-m20.

P. D. Adams, R. W. Grosse-Kunstleve, L.-W. Hung, T. R. Ioerger, A. J. McCoy, N. W. Moriarty, R. J. Read, J. C. Sacchettini, N. K. Sauter & T. C. Terwilliger (2002). PHENIX: building new software for automated crystallographic structure determination. Acta Cryst. D58, 1948-1954.

B. R. Kaafarani, B. Wex, A. G. Oliver, J. A. Krause Bauer & D. C. Neckers (2003). --Stacking and nitro--stacking interactions of 1-(4-nitrophenyl)-4-phenyl-2,4-bis(phenylethynyl)butadiene. Acta Cryst. E59, o227-o229.

H. Park & J. Barbier (2001). PbGaBO₄, an orthoborate with a new structure-type. Acta Cryst. E57, i82-i84.

A. D. Bond, N. Feeder, S. J. Teat, Z. Clyde-Watson, N. Bampos & J. K. M. Sanders (2001). Aqua{5,15-bis[4-(2-trimethylsilylacetylene)phenyl]-2,8,12,18-tetrakis(2-methoxycarbonylethyl)-3,7,13,17-tetramethyl-10,20-dioxoporphyrinato}zinc(II). Acta Cryst. E57, m454-m456.

A. Asano, T. Taniguchi, M. Sasaki, H. Hasegawa, Y. Katsuya & M. Doi (2001). A -sheet structure formed by C-HO hydrogen bonds between the thiazole rings and amide bonds of a dimeric desoxazoline ascidiacyclamide analogue. Acta Cryst. E57, o834-o838.

M. A. Navasardyan (2001). Controllable variation of the intensity of diffracted X-ray beams and double modulation of such beams for transmission and reception of audio information. J. Appl. Cryst. 34, 763-766.

A. R. Oganov, G. D. Price & J. P. Brodholt (2001). Theoretical investigation of metastable Al₂SiO₅ polymorphs. Acta Cryst. A57, 548-557.

G. Tajiri, W.-K. Lee, P. Fernandez, D. M. Mills, L. Assoufid & F. Amirouche (2001). Nonlinear thermal-distortion predictions of a silicon monochromator using the finite element method. J. Synchrotron Rad. 8, 1140-1148.

S. D. Shastri, P. Zambianchi & D. M. Mills (2001). Dynamical diffraction of ultrashort X-ray free-electron laser pulses. J. Synchrotron Rad. 8, 1131-1135.

R. J. Read (2001). Pushing the boundaries of molecular replacement with maximum likelihood. Acta Cryst. D57, 1373-1382.

C. R. Kissinger, D. K. Gehlhaar, B. A. Smith & D. Bouzida (2001). Molecular replacement by evolutionary search. Acta Cryst. D57, 1474-1479.

D. A. R. Sanders, S. A. McMahon, G. L. Leonard & J. H. Naismith (2001). Molecular placement of experimental electron density: a case study on UDP-galactopyranose mutase. Acta Cryst. D57, 1415-1420.

Q. Hao (2001). Phasing from an envelope. Acta Cryst. D57, 1410-1414.

E. J. Dodson (2001). Using electron-microscopy images as a model for molecular replacement. Acta Cryst. D57, 1405-1409.

R. A. Pauptit, C. A. Dennis, D. J. Derbyshire, A. L. Breeze, S. A. Weston, S. Rowsell & G. N. Murshudov (2001). NMR trial models: experiences with the colicin immunity protein Im7 and the p85 C-terminal SH2-peptide complex. Acta Cryst. D57, 1397-1404.

Y. W. Chen (2001). Solution solution: using NMR models for molecular replacement. Acta Cryst. D57, 1457-1461.

T. J. Oldfield (2001). Creating structure features by data mining the PDB to use as molecular-replacement models. Acta Cryst. D57, 1421-1427.

D. T. Jones (2001). Evaluating the potential of using fold-recognition models for molecular replacement. Acta Cryst. D57, 1428-1434.

A. Volkov & P. Coppens (2001). Critical examination of the radial functions in the Hansen-Coppens multipole model through topological analysis of primary and refined theoretical densities. Acta Cryst. A57, 395-405.

J. L. Eads & R. P. Millane (2001). Diffraction by the ideal paracrystal. Acta Cryst. A57, 507-517.

C. C. Wilson (2001). Migration of the proton in the strong O-HO hydrogen bond in urea-phosphoric acid (1/1). Acta Cryst. B57, 435-439.

L. R. Nassimbeni & H. Su (2001). Inclusion compounds of binaphthol with picolines: structures, selectivity and kinetics of desolvation. Acta Cryst. B57, 394-398.

A. Evdokimov, A. J. Gilboa, T. F. Koetzle, W. T. Klooster, A. J. Schultz, S. A. Mason, A. Albinati & F. Frolow (2001). Structures of furanosides: geometrical analysis of low-temperature X-ray and neutron crystal structures of five crystalline methyl pentofuranosides. Acta Cryst. B57, 213-220.

A. Bergmann, D. Orthaber, G. Scherf & O. Glatter (2000). Improvement of SAXS measurements on Kratky slit systems by Göbel mirrors and imaging-plate detectors. J. Appl. Cryst. 33, 869-875.

R. A. Lewis, K. D. Rogers, C. J. Hall, E. Towns-Andrews, S. Slawson, A. Evans, S. E. Pinder, I. O. Ellis, C. R. M. Boggis, A. P. Hufton & D. R. Dance (2000). Breast cancer diagnosis using scattered X-rays. J. Synchrotron Rad. 7, 348-352.

R.-J. Guan, X.-Q. Liu, B. Liu, M. Wang & D.-C. Wang (2000). Crystallization and preliminary X-ray analyses of insect neurotoxins with analgesic effect from the scorpion Buthus martensii Karsch. Acta Cryst. D56, 1012-1014.

D. Hennessy, B. Buchanan, D. Subramanian, P. A. Wilkosz & J. M. Rosenberg (2000). Statistical methods for the objective design of screening procedures for macromolecular crystallization. Acta Cryst. D56, 817-827.

A. Dessen, E. Forest, V. Volchkov, O. Dolnik, H.-D. Klenk & W. Weissenhorn (2000). Crystallization and preliminary X-ray analysis of the matrix protein from Ebola virus. Acta Cryst. D56, 758-760.

M. L. Chiu, P. Nollert, M. C. Loewen, H. Belrhali, E. Pebay-Peyroula, J. P. Rosenbusch & E. M. Landau (2000). Crystallization in cubo: general applicability to membrane proteins. Acta Cryst. D56, 781-784.

B. P. Klaholz & D. Moras (2000). Structural role of a detergent molecule in retinoic acid nuclear receptor crystals. Acta Cryst. D56, 933-935.

T. Sato, Y. Yamada, S. Saijo, T. Hori, R. Hirose, N. Tanaka, G. Sazaki, K. Nakajima, N. Igarashi, M. Tanaka & Y. Matsuura (2000). Enhancement in the perfection of orthorhombic lysozyme crystals grown in a high magnetic field (10 T). Acta Cryst. D56, 1079-1083.

Q. Shen, S. Kycia & I. Dobrianov (2000). Triplet-phase measurements using reference-beam X-ray diffraction. Acta Cryst. A56, 268-279.

Q. Shen, S. Kycia & I. Dobrianov (2000). Enantiomorph determination using inverse reference-beam diffraction images. Acta Cryst. A56, 264-267.

C. M. Weeks, H. Xu, H. A. Hauptman & Q. Shen (2000). Shake-and-Bake applications using simulated reference-beam data for crambin. Acta Cryst. A56, 280-283.

J. P. M. Lommerse, W. D. S. Motherwell, H. L. Ammon, J. D. Dunitz, A. Gavezzotti, D. W. M. Hofmann, F. J. J. Leusen, W. T. M. Mooij, S. L. Price, B. Schweizer, M. U. Schmidt, B. P. van Eijck, P. Verwer & D. E. Williams (2000). A test of crystal structure prediction of small organic molecules. Acta Cryst. B56, 697-714.

H. Lichtenegger, M. Müller, O. Paris, C. Riekel & P. Fratzl (1999). Imaging of the helical arrangement of cellulose fibrils in wood by synchrotron X-ray microdiffraction. J. Appl. Cryst. 32, 1127-1133.

C. Meneghini, A. F. Gualtieri & C. Siligardi (1999). Differential anomalous wide-angle X-ray scattering and X-ray absorption experiments to investigate the formation of glass ceramics in the CaO-SiO₂-ZrO₂ system. J. Appl. Cryst. 32, 1090-1099.

M. Tremayne, E. J. MacLean, C. C. Tang & C. Glidewell (1999). 2,4,6-Triisopropylbenzenesulfonamide: Monte Carlo structure solution from X-ray powder diffraction data for a molecular system containing four independent asymmetric rotors. Acta Cryst. B55, 1068-1074.

H. Karfunkel, H. Wilts, Z. Hao, A. Iqbal, J. Mizuguchi & Z. Wu (1999). Local similarity in organic crystals and the non-uniqueness of X-ray powder patterns. Acta Cryst. B55, 1075-1089.

K. Hensen, A. Faber & M. Bolte (1999). trans-Tetrabromobis(3,5-dimethylpyridine)germanium(IV), a non-merohedral twin. Acta Cryst. C55, 1774-1775.

R. Ravishankar, K. Suguna, A. Surolia & M. Vijayan (1999). Structures of the complexes of peanut lectin with methyl--galactose and N-acetyllactosamine and a comparative study of carbohydrate binding in Gal/GalNAc-specific legume lectins. Acta Cryst. D55, 1375-1382.

T.-P. Ko, J. Day, A. J. Malkin & A. McPherson (1999). Structure of orthorhombic crystals of beef liver catalase. Acta Cryst. D55, 1383-1394.

A. González, J.-D. Pédelacq, M. Solà, F. X. Gomis-Rüth, M. Coll, J.-P. Samama & S. Benini (1999). Two-wavelength MAD phasing: in search of the optimal choice of wavelengths. Acta Cryst. D55, 1449-1458.

D. E. Tronrud (1999). The efficient calculation of the normal matrix in least-squares refinement of macromolecular structures. Acta Cryst. A55, 700-703.

G. N. Murshudov, A. A. Vagin, A. Lebedev, K. S. Wilson & E. J. Dodson (1999). Efficient anisotropic refinement of macromolecular structures using FFT. Acta Cryst. D55, 247-255.

D. H. Templeton (1999). Faster calculation of the full matrix for least-squares refinement. Acta Cryst. A55, 695-699.

M. Suzuki, M. Yamamoto, T. Kumasaka, K. Sato, H. Toyokawa, I. F. Aries, P. A. Jerram, D. Gullick & T. Ueki (1999). A multiple-CCD X-ray detector and its basic characterization. J. Synchrotron Rad. 6, 6-18.

S. Manolopoulos, R. Bates, G. Bushnell-Wye, M. Campbell, G. Derbyshire, R. Farrow, E. Heijne, V. O'Shea, C. Raine & K. M. Smith (1999). X-ray powder diffraction with hybrid semiconductor pixel detectors. J. Synchrotron Rad. 6, 112-115.

U. W. Arndt, P. Duncumb, J. V. P. Long, L. Pina & A. Inneman (1998). Focusing Mirrors for Use with Microfocus X-ray Tubes. J. Appl. Cryst. 31, 733-741.

P.-W. Li & R.-C. Bi (1998). Applications of Polycapillary X-ray Optics in Protein Crystallography. J. Appl. Cryst. 31, 806-811.

E. Makovicky & T. Balic-Zunic (1998). New Measure of Distortion for Coordination Polyhedra. Acta Cryst. B54, 766-773.

G. Bergerhoff, M. Berndt, K. Brandenburg & T. Degen (1999). Concerning inorganic crystal structure types. Acta Cryst. B55, 147-156.

C. Wilson, F. K. Larsen & B. N. Figgis (1998). Di--oxo-bis[bis(bipyridine-N,N')manganese(III, IV)] Triperchlorate Bis(nitrobenzene) Hemihydrate. Acta Cryst. C54, 1797-1799.

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previously highlighted articles

highlighted articles

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A conformation-dependent stereochemical library improves crystallographic refinement even at atomic resolution

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