Acta Crystallographica Section D: Biological Crystallography
Volume 64, Part 8 (August 2008)
Copyright (c) International Union of Crystallography 2008

[Issue Author Index][Volume Author Index]

research papers

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Acta Cryst. (2008). D64, 815-822
[ doi:10.1107/S0907444908013590 ]

Structures of Arthrobacter globiformis urate oxidase-ligand complexes

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

Synopsis: Crystal structures of urate oxidase from A. globiformis and of its complexes with uric acid, allantoate and 8-azaxanthin demonstrate details of substrate recognition and catalysis.

PDB references: 2yzb, 2yzc, 2yzd and 2yze

Online 17 July 2008

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Acta Cryst. (2008). D64, 823-833
[ doi:10.1107/S0907444908014273 ]

Improved classification of crystallization images using data fusion and multiple classifiers

S. Buchala and J. C. Wilson

Synopsis: Improved classification of images from crystallization experiments is obtained using multiple classifiers to combine different feature-extraction methods.

Online 17 July 2008

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Acta Cryst. (2008). D64, 834-842
[ doi:10.1107/S0907444908014327 ]

Pattern-recognition-based detection of planar objects in three-dimensional electron-density maps

J. Hattne and V. S. Lamzin

Synopsis: A pattern-recognition-based method for the identification of planar objects in crystallographic electron-density maps is presented. The accuracy of the located centres of the planes is of the order of 0.5 Å.

Online 17 July 2008

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Acta Cryst. (2008). D64, 843-850
[ doi:10.1107/S0907444908016648 ]

Structure determination of the 1918 H1N1 neuraminidase from a crystal with lattice-translocation defects

X. Zhu, X. Xu and I. A. Wilson

Synopsis: The structure of the 1918 H1N1 neuraminidase was determined to 1.65 Å from crystals with a lattice-translocation defect using uncorrected, as well as corrected, diffraction data.

PDB reference: 3cye

Online 17 July 2008

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Acta Cryst. (2008). D64, 851-863
[ doi:10.1107/S0907444908017083 ]

Short strong hydrogen bonds in proteins: a case study of rhamnogalacturonan acetylesterase

A. Langkilde, S. M. Kristensen, L. Lo Leggio, A. Mølgaard, J. H. Jensen, A. R. Houk, J.-C. Navarro Poulsen, S. Kauppinen and S. Larsen

Synopsis: The short hydrogen bonds in rhamnogalacturonan acetylesterase have been investigated by structure determination of an active-site mutant, 1H NMR spectra and computational methods. Comparisons are made to database statistics. A very short carboxylic acid carboxylate hydrogen bond, buried in the protein, could explain the low-field (18 p.p.m.) 1H NMR signal.

PDB reference: 3c1u

Online 17 July 2008

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Acta Cryst. (2008). D64, 864-873
[ doi:10.1107/S0907444908017381 ]

Macromolecular structure solution by charge flipping

C. Dumas and A. van der Lee

Synopsis: A novel phasing method that uses the charge-flipping algorithm has been used to solve the ab initio structure of biological macromolecules at atomic resolution and to determine heavy-atom or anomalous scattering substructures.

Online 17 July 2008

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Acta Cryst. (2008). D64, 874-882
[ doi:10.1107/S0907444908017393 ]

Representation of viruses in the remediated PDB archive

C. L. Lawson, S. Dutta, J. D. Westbrook, K. Henrick and H. M. Berman

Synopsis: A new data model for PDB entries of viruses and other biological assemblies with regular noncrystallographic symmetry is described.

Online 17 July 2008

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Acta Cryst. (2008). D64, 883-891
[ doi:10.1107/S0907444908017769 ]

Structural evidence for the inhibition of grape dihydroflavonol 4-reductase by flavonols

N. Trabelsi, P. Petit, C. Manigand, B. Langlois d'Estaintot, T. Granier, J. Chaudière and B. Gallois

Synopsis: Structures of grape dihydroflavonol 4-reductase in complex with NADP+ and various flavonols suggest possible inhibition of the enzyme by flavonols. Initial kinetics experiments confirmed the inhibition and showed its competitive character.

PDB references: 3bxx and 3c1t

Online 17 July 2008

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Acta Cryst. (2008). D64, 892-901
[ doi:10.1107/S0907444908019069 ]

Structure of a superoxide dismutase and implications for copper-ion chelation

M. Yogavel, P. C. Mishra, J. Gill, P. K. Bhardwaj, S. Dutt, S. Kumar, P. S. Ahuja and A. Sharma

Synopsis: Structural insights were obtained into the copper-chelation mechanism in superoxide dismutases.

PDB reference: 2q2l

Online 17 July 2008

short communications

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Acta Cryst. (2008). D64, 902-904
[ doi:10.1107/S0907444908017162 ]

Alternative models for two crystal structures of bovine rhodopsin

R. E. Stenkamp

Synopsis: Two crystal structures of rhodopsin that were originally described using trigonal symmetry can be interpreted in a hexagonal unit cell with a smaller asymmetric unit.

PDB references: 3c9l and 3c9m

Online 17 July 2008

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Acta Cryst. (2008). D64, 905-908
[ doi:10.1107/S0907444908018568 ]

Coulombic and dispersive factors in the molecular recognition of peptides: PIXEL calculations on two NNQQ (Asn-Asn-Gln-Gln) crystal polymorphs

A. Gavezzotti

Synopsis: The crystal-packing and cohesive energies in the structures of two polymorphs of the title tetrapeptide have been analyzed using molecule-molecule energies calculated using the PIXEL method.

Online 17 July 2008