Acta Crystallographica Section D

Biological Crystallography

Volume 60, Part 7 (July 2004)



[Issue Author Index][Volume Author Index]
[Cover illustration] Cover illustration: The active site of P. fluorescens aryl esterase is formed by catalytic residues Ser94 and His251 (red) with the N atoms of Trp128 and Met95 (CPK colors) forming the oxyanion hole. Val121 (magenta) marks the acyl binding site and Phe93 (yellow) marks the binding site of the alcohol moiety of the substrate (p. 1237).

research papers


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Acta Cryst. (2004). D60, 1187-1197  [ doi:10.1107/S0907444904008881 ]

Structure of macrophomate synthase

T. Ose, K. Watanabe, M. Yao, M. Honma, H. Oikawa and I. Tanaka

Synopsis: The structure of MPS is described in detail and compared with that of DDG aldolase.

PDB reference: 1izc

Online 22 June 2004


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Acta Cryst. (2004). D60, 1198-1204  [ doi:10.1107/S0907444904009035 ]

Crystal structure reveals two alternative conformations in the active site of ribonuclease Sa2

J. Sevcík, Z. Dauter and K. S. Wilson

Synopsis: The structures of two crystal forms of ribonuclease Sa2 were determined at 1.8 and 1.5 Å. One form contains a complex of two molecules interacting through their active sites, in which the aromatic ring of a flipped-out active-site tyrosine residue of one molecule occupies the substrate-binding site of the second molecule.

PDB references: 1py3 and 1pyl

Online 22 June 2004


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Acta Cryst. (2004). D60, 1205-1213  [ doi:10.1107/S0907444904009321 ]

DNA apophotolyase from Anacystis nidulans: 1.8 Å structure, 8-HDF reconstitution and X-ray-induced FAD reduction

R. Kort, H. Komori, S. Adachi, K. Miki and A. Eker

Synopsis: The A. nidulans DNA apophotolyase structure has been determined at 1.8 Å resolution. The kinetics of in vitro reconstitution of the apoprotein have been determined and structural changes associated with X-ray-induced FAD reduction characterized.

PDB references: 1owl, 1owm, 1own, 1owo and 1owp

Online 22 June 2004


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Acta Cryst. (2004). D60, 1214-1219  [ doi:10.1107/S0907444904009771 ]

Structure of potato calmodulin PCM6: the first report of the three-dimensional structure of a plant calmodulin

C. Yun, J. Bai, D. Sun, D. Cui, W. Chang and D. Liang

Synopsis: The PCM6 structure provides the first three-dimensional structure of a plant calmodulin and shows differences from animal and protozoa calmodulin structures in its crystal form, central helix conformation and molecular-surface properties.

PDB reference: 1rfj

Online 22 June 2004


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Acta Cryst. (2004). D60, 1220-1228  [ doi:10.1107/S0907444904009990 ]

Simple algorithm for a maximum-likelihood SAD function

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

Synopsis: A derivation of a maximum-likelihood single-wavelength anomalous diffraction phasing function with simple algorithmic characteristics for refinement of models containing anomalous scatterers.

Online 22 June 2004


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Acta Cryst. (2004). D60, 1229-1236  [ doi:10.1107/S0907444904010145 ]

The importance of alignment accuracy for molecular replacement

R. Schwarzenbacher, A. Godzik, S. K. Grzechnik and L. Jaroszewski

Synopsis: Several types of search models prepared with alignments of different accuracy were compared in MR trials. The analysis shows, that models based on more accurate alignments have a higher success rate in MR.

Online 22 June 2004


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Acta Cryst. (2004). D60, 1237-1243  [ doi:10.1107/S0907444904010522 ]

Structure of an aryl esterase from Pseudomonas fluorescens

J. D. Cheeseman, A. Tocilj, S. Park, J. D. Schrag and R. J. Kazlauskas

Synopsis: The X-ray crystal structure of P. fluorescens aryl esterase has been solved to a resolution of 1.8 Å. It shows highest structural similarity to non-heme bacterial haloperoxidases, rather than to other esterases.

PDB reference: 1va4

Online 22 June 2004


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Acta Cryst. (2004). D60, 1244-1253  [ doi:10.1107/S0907444904010674 ]

SAD phasing by combination of direct methods with the SOLVE/RESOLVE procedure

J. W. Wang, J. R. Chen, Y. X. Gu, C. D. Zheng, F. Jiang, H. F. Fan, T. C. Terwilliger and Q. Hao

Synopsis: Direct methods have been combined with the SOLVE/RESOLVE procedure to improve SAD phasing of proteins.

Online 22 June 2004


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Acta Cryst. (2004). D60, 1254-1265  [ doi:10.1107/S0907444904011035 ]

Hierarchical analysis of promolecular full electron-density distributions: description of protein structure fragments

L. Leherte

Synopsis: The local maxima of promolecular electron-density distributions are obtained at various degrees of smoothing for a protein structure. They are hierarchically related and are interpreted in terms of protein fragments.

Online 22 June 2004


structural genomics papers


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Acta Cryst. (2004). D60, 1266-1271  [ doi:10.1107/S0907444904009394 ]

Structure of the putative DNA-binding protein SP_1288 from Streptococcus pyogenes

V. Oganesyan, R. Pufan, A. DeGiovanni, H. Yokota, R. Kim and S.-H. Kim

Synopsis: The crystal structure of the putative DNA-binding protein SP_1288 from S. pyogenes has been determined by X-ray crystallography to a resolution of 2.3 Å using anomalous diffraction data at the Se peak wavelength.

PDB reference: 1s7o

Online 22 June 2004


crystallization papers


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Acta Cryst. (2004). D60, 1272-1274  [ doi:10.1107/S0907444904008728 ]

SOS3 (salt overly sensitive 3) from Arabidopsis thaliana: expression, purification, crystallization and preliminary X-ray analysis

M. J. Sánchez-Barrena, M. Martínez-Ripoll, J. K. Zhu and A. Albert

Synopsis: Recombinant SOS3 from A. thaliana has been overexpressed in E. coli, purified and crystallized by the hanging-drop vapour-diffusion method. A preliminary X-ray data set has been collected at 3.2 Å resolution.

Online 22 June 2004


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Acta Cryst. (2004). D60, 1275-1277  [ doi:10.1107/S0907444904009400 ]

Crystals of family 11 xylanase II from Trichoderma longibrachiatum that diffract to atomic resolution

N. Moiseeva and M. Allaire

Synopsis: A new crystal form of a family 11 xylanase shows diffraction limits of better than 1 Å resolution.

Online 22 June 2004


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Acta Cryst. (2004). D60, 1278-1280  [ doi:10.1107/S090744490400931X ]

Expression, refolding, crystallization and preliminary crystallographic study of MHC H-2Kk complexed with octapeptides and nonapeptides

C. Kellenberger, S. Porciero and A. Roussel

Synopsis: The expression, refolding, purification and crystallization of mouse H-2Kk in complex with both an octapeptide from Influenza A virus and a nonapeptide from simian virus SV40 are reported.

Online 22 June 2004


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Acta Cryst. (2004). D60, 1281-1283  [ doi:10.1107/S0907444904009722 ]

Crystallization and preliminary X-ray analysis of a C-terminal TonB fragment from Escherichia coli

J. Koedding, P. Polzer, F. Killig, S. P. Howard, K. Gerber, P. Seige, K. Diederichs and W. Welte

Synopsis: A C-terminal fragment of TonB from E. coli consisting of amino-acid residues 147-239 (TonB-92) has been purified and crystallized.

Online 22 June 2004


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Acta Cryst. (2004). D60, 1284-1285  [ doi:10.1107/S0907444904009631 ]

Crystallization and preliminary X-ray analysis of Escherichia coli K12 YgjK protein, a member of glycosyl hydrolase family 63

T. Tonozuka, A. Uechi, M. Mizuno, K. Ichikawa, A. Nishikawa and Y. Sakano

Synopsis: E. coli K12 YgjK protein, a member of GH family 63, has been overexpressed, purified and crystallized using the vapour-diffusion method.

Online 22 June 2004


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Acta Cryst. (2004). D60, 1286-1288  [ doi:10.1107/S0907444904010108 ]

Expression, purification, crystallization and preliminary X-ray analysis of [alpha]-L-arabinofuranosidase B from Aspergillus kawachii

A. Miyanaga, T. Koseki, H. Matsuzawa, T. Wakagi, H. Shoun and S. Fushinobu

Synopsis: The crystallization and preliminary X-ray analysis of the [alpha]-L-arabinofuranosidase from A. kawachii, a family 54 glycoside hydrolase, is described. The crystals of recombinant protein expressed in P. pastoris belong to space group P212121 and diffracted to a resolution of 1.82 Å.

Online 22 June 2004


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Acta Cryst. (2004). D60, 1289-1291  [ doi:10.1107/S0907444904010157 ]

Crystallization and preliminary analysis of xenobiotic reductase B from Pseudomonas fluorescens I-C

A. M. Orville, L. Manning, D. S. Blehert, B. G. Fox and G. H. Chambliss

Synopsis: Xenobiotic reductase B from P. fluorescens I-C catalyzes the NADPH-dependent, nitrite elimination from nitroglycerin to yield 1,3-dinitroglycerol. Crystallization and analysis of the X-ray data for this FMN-containing enzyme is reported.

Online 22 June 2004


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Acta Cryst. (2004). D60, 1292-1294  [ doi:10.1107/S0907444904010467 ]

Protein preparation, crystallization and preliminary X-ray analysis of human adrenal gland protein AD-004

H. Ren, Y. Liang, R. Li, H. Ding, S. Qiu, S. Lu, J. An, L. Li, M. Luo, X. Zheng and X.-D. Su

Synopsis: The human adrenal gland protein AD-004 has been expressed and purified from E. coli and crystallized in space group P61 or P65. The crystals diffracted to high resolution.

Online 22 June 2004


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Acta Cryst. (2004). D60, 1295-1298  [ doi:10.1107/S0907444904010492 ]

Crystallization and X-ray diffraction analysis of insect-cell-derived IL-22

T. Xu, N. J. Logsdon and M. R. Walter

Synopsis: Insect-cell-expressed interleukin-22 has been crystallized using hanging-drop vapor-diffusion experiments at 310 K. A complete low-temperature 2.6 Å resolution data set has been collected using synchrotron radiation.

Online 22 June 2004


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Acta Cryst. (2004). D60, 1299-1300  [ doi:10.1107/S0907444904010595 ]

Crystallization and preliminary X-ray crystallographic analysis of peptide deformylase from Thermus thermophilus HB8

M. Kamo, N. Kudo, W. C. Lee, H. Motoshima and M. Tanokura

Synopsis: A recombinant peptide deformylase (PDF) of thermophilic bacterium T. thermophilus HB8 has been crystallized by the hanging-drop vapour-diffusion method using PEG 4000 as a precipitant. The crystals belonged to the tetragonal space group P41 or P43 with unit-cell parameters of a = b = 62.58, c = 105.27 Å.

Online 22 June 2004


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Acta Cryst. (2004). D60, 1301-1303  [ doi:10.1107/S0907444904010686 ]

Expression, purification and crystallization of a functional core of the voltage-dependent calcium channel [beta] subunit

Y. Opatowsky, O. Chomsky-Hecht and J. A. Hirsch

Synopsis: Two truncated versions of the voltage-dependant calcium channel [beta]2a subunit have been expressed in E. coli, purified and crystallized in two forms with orthorhombic and tetragonal symmetries.

Online 22 June 2004


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Acta Cryst. (2004). D60, 1304-1307  [ doi:10.1107/S0907444904010716 ]

Purification and crystallization of the yeast translation elongation factor eEF3

C. F. Andersen, M. Anand, T. Boesen, L. B. Van, T. G. Kinzy and G. R. Andersen

Synopsis: The protein biosynthesis elongation factor 3 from yeast has been expressed in E. coli and yeast strains and well diffracting crystals have been obtained.

Online 22 June 2004


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Acta Cryst. (2004). D60, 1308-1310  [ doi:10.1107/S0907444904010996 ]

Crystallization and preliminary crystallographic analysis of an acylphosphatase from the hyperthermophilic archaeon Pyrococcus horikoshii

Y.-Y. Cheung, M. D. Allen, M. Bycroft and K.-B. Wong

Synopsis: A thermophilic acylphosphatase from P. horikoshii was crystallized in space group P3221, with unit-cell parameters a = b = 85.65, c = 75.51 Å. A complete diffraction data set was collected to 1.6 Å.

Online 22 June 2004


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Acta Cryst. (2004). D60, 1311-1314  [ doi:10.1107/S0907444904011199 ]

Anti-TRAP protein from Bacillus subtilis: crystallization and internal symmetry

M. B. Shevtsov, Y. Chen, P. Gollnick and A. A. Antson

Synopsis: Anti-TRAP protein from B. subtilis was crystallized. The arrangement of peaks in the self-rotation function together with gel-filtration data suggest that the protein exists as a trimer or dodecamer in solution.

Online 22 June 2004


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Acta Cryst. (2004). D60, 1315-1318  [ doi:10.1107/S0907444904011205 ]

Crystallization and preliminary crystallographic study of the functional form of the Bacillus thuringiensis mosquito-larvicidal Cry4Aa mutant toxin

P. Boonserm, C. Angsuthanasombat and J. Lescar

Synopsis: The 65 kDa trypsin-activated fragment of the active Cry4Aa mutant from B. thuringiensis subsp. israelensis, which is specifically toxic to mosquito larvae, has been purified and crystallized. The crystals belong to space group C2221 and diffract to 2.90 Å resolution.

Online 22 June 2004


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Acta Cryst. (2004). D60, 1319-1322  [ doi:10.1107/S0907444904011217 ]

Crystallization and preliminary X-ray diffraction study of mammalian mitochondrial seryl-tRNA synthetase

S. Chimnaronk, M. G. Jeppesen, N. Shimada, T. Suzuki, J. Nyborg and K. Watanabe

Synopsis: The mitochondrial seryl-tRNA synthetase from B. taurus has been cocrystallized with the substrates ATP and serine using PEG 8000 and lithium sulfate as precipitants. The crystals, which belong to space group C2221, diffracted X-rays to a resolution of 1.6 Å.

Online 22 June 2004


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Acta Cryst. (2004). D60, 1323-1327  [ doi:10.1107/S0907444904011485 ]

Purification, crystallization, X-ray diffraction analysis and phasing of a Fab fragment of monoclonal neuroantibody [alpha]D11 against nerve growth factor

S. Covaceuszach, A. Cassetta, A. Cattaneo and D. Lamba

Synopsis: The purification, crystallization and X-ray diffraction analysis of a Fab fragment of monoclonal neuroantibody [alpha]D11 against nerve growth factor are described. Initial phasing by Patterson search techniques and key features of the crystal-packing motif are discussed.

Online 22 June 2004


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Acta Cryst. (2004). D60, 1328-1330  [ doi:10.1107/S0907444904012223 ]

Expression, crystallization and preliminary X-ray characterization of the Drosophila transcription factor Doublesex

J. Bayrer, Z. Wan, B. Li and M. A. Weiss

Synopsis: The dimerization domain of the Drosophila transcription factor responsible for sexual differentiation, Doublesex, has been expressed and crystallized; phases have been solved by single-wavelength anomalous dispersion.

Online 22 June 2004


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Acta Cryst. (2004). D60, 1331-1333  [ doi:10.1107/S0907444904011850 ]

Purification, crystallization and preliminary X-ray diffraction analysis of a fungal saponin-detoxifying enzyme

V. A. Bamford, O. O. Kolade, A. E. Osbourn and A. M. Hemmings

Synopsis: Tomatinase, a saponin-detoxifying enzyme belonging to family 3 of the glycosyl hydrolases from the fungal tomato pathogen S. lycopersici, has been purified from culture medium and crystallized. The crystals belong to space group P21212 are predicted to contain 46% solvent and diffract to at least 3.0 Å resolution.

Online 22 June 2004


short communications


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Acta Cryst. (2004). D60, 1334-1337  [ doi:10.1107/S0907444904008546 ]

Ionic strength reducers: an efficient approach to protein purification and crystallization. Application to two Rop variants

Y. Papanikolau, D. Kotsifaki, V. E. Fadouloglou, A. D. Gazi, N. M. Glykos, G. Cesareni and M. Kokkinidis

Synopsis: The properties of ionic strength reducers are exploited in order to optimize protein purification and crystallization.

Online 22 June 2004


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Acta Cryst. (2004). D60, 1338-1340  [ doi:10.1107/S0907444904009862 ]

Metal sites in 3,4-dihydroxy-2-butanone 4-phosphate synthase from Methanococcus jannaschii in complex with the substrate ribulose 5-phosphate

S. Steinbacher, S. Schiffmann, A. Bacher and M. Fischer

Synopsis: Anomalous diffraction data at the zinc absorption edge ([lambda] = 1.2823 Å) were used to distinguish between zinc and calcium ions.

PDB reference: 1snn

Online 22 June 2004


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Acta Cryst. (2004). D60, 1341-1345  [ doi:10.1107/S0907444904011473 ]

Twinned or not twinned, that is the question: crystallization and preliminary crystallographic analysis of the 2F13F1 module pair of human fibronectin

E. Rudiño-Piñera, U. Schwarz-Linek, J. R. Potts and E. F. Garman

Synopsis: Native, bacterial-peptide-bound and heavy-atom derivative crystals of the 2F13F1 module pair of human fibronectin have been crystallized in a tetragonal space group (P4212, P41212 or P43212), with unit-cell parameters a = b = 37, c = 108 Å. Data were collected to high-resolution limits of between 2.2 and 1.7 Å. Six different tests were performed to test for possible twinning in the crystals.

Online 22 June 2004


addenda and errata


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Acta Cryst. (2004). D60, 1346  [ doi:10.1107/S0907444904014040 ]

Purification, crystallization and preliminary X-ray analysis of an acetylxylan esterase from Bacillus pumilus. Erratum

S. Benini, G. Degrassi, I. Krastanova, D. Lamba and V. Venturi

Synopsis: An erratum to the paper by Benini et al. (2001), Acta Cryst. D57, 1906-1907.

Online 22 June 2004


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