Acta Crystallographica Section D

Biological Crystallography

Volume 57, Part 8 (August 2001)



[Issue Author Index][Volume Author Index]
[Cover illustration] Cover illustration: The glycohydrolase inhibitor cellobiono-imidazole binding to cellobiohydrolase Cel6A. The image was created using the Molray interface between O and POV-Ray. (p. 1201).

topical reviews


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Acta Cryst. (2001). D57, 1053-1060  [ doi:10.1107/S0907444901008824 ]

Atomic force microscopy applications in macromolecular crystallography

A. McPherson, A. J. Malkin, Y. G. Kuznetsov and M. Plomp

Synopsis: Atomic force microscopy (AFM) can be used to investigate macromolecular crystal growth in situ, and to deduce mechanistic, kinetic and phenomenological properties of the process.

Online 23 July 2001


research papers


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Acta Cryst. (2001). D57, 1061-1070  [ doi:10.1107/S0907444901007235 ]

Structure of rat transthyretin (rTTR) complex with thyroxine at 2.5  Å resolution: first non-biased insight into thyroxine binding reveals different hormone orientation in two binding sites

A. Wojtczak, V. Cody, J. R. Luft and W. Pangborn

Synopsis: The first observation of the unique environment for thyroxine (T4) binding in tetrameric rat transthyretin (rTTR) is reported as determined by X-ray diffraction.

PDB reference: 1ie4

Online 23 July 2001


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Acta Cryst. (2001). D57, 1071-1078  [ doi:10.1107/S0907444901007405 ]

The structure of leech anti-platelet protein, an inhibitor of haemostasis

E. G. Huizinga, A. Schouten, T. M. Connolly, J. Kroon, J. J. Sixma and P. Gros

Synopsis: The structure of leech anti-platelet protein was solved by single isomorphous replacement and refined to 2.2  Å resolution. It resembles the N-domain of hepatocyte growth factor, but no detectable sequence homology exists. A 36-residue N-terminal region rich in glycine and acidic residues is not visible in the electron-density map.

PDB reference: 1i8n

Online 23 July 2001


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Acta Cryst. (2001). D57, 1079-1090  [ doi:10.1107/S0907444901007673 ]

Structure of Haemophilus influenzae HslU protein in crystals with one-dimensional disorder twinning

C. B. Trame and D. B. McKay

Synopsis: The structure of H. influenzae HslU has been solved to 2.3  Å resolution in crystals which have one-dimensional disorder twinning. A method for computationally correcting for the twinning is described.

PDB references: 1g41 and 1im2

Online 23 July 2001


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Acta Cryst. (2001). D57, 1091-1100  [ doi:10.1107/S0907444901007685 ]

Phase changes in T3R3f human insulin: temperature or pressure induced?

G. D. Smith, W. Pangborn and R. H. Blessing

Synopsis: Owing to phase changes as a result of freezing, the c axis of T3R3f hexameric insulin is doubled and the asymmetric unit contains two independent TRf dimers.

PDB references: 1g7a and 1g7b

Online 23 July 2001


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Acta Cryst. (2001). D57, 1101-1109  [ doi:10.1107/S0907444901008186 ]

Structure of the insecticidal bacterial [delta]-endotoxin Cry3Bb1 of Bacillus thuringiensis

N. Galitsky, V. Cody, A. Wojtczak, D. Ghosh, J. R. Luft, W. Pangborn and L. English

Synopsis: The crystal structure of the [delta]-endotoxin Cry3Bb1 has been refined using data collected to 2.4  Å resolution, with a residual R factor of 17.5% and an Rfree of 25.3%. The structure is made up of three domains: I, a seven-helix bundle (residues 64-294); II, a three-sheet domain (residues 295-502); and III, a [beta]-sandwich domain (residues 503-652).

PDB reference: 1ji6

Online 23 July 2001


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Acta Cryst. (2001). D57, 1110-1118  [ doi:10.1107/S0907444901008654 ]

X-ray structure of a blue copper nitrite reductase at high pH and in copper-free form at 1.9  Å resolution

M. J. Ellis, F. E. Dodd, R. W. Strange, M. Prudêncio, G. Sawers, R. R. Eady and S. S. Hasnain

Synopsis: Structure of nitrite reductase at high pH provides a structural explanation for the greatly reduced activity of the enzyme at high pH.

PDB references: 1hau and 1haw

Online 23 July 2001


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Acta Cryst. (2001). D57, 1119-1126  [ doi:10.1107/S0907444901008873 ]

Structure of tetragonal hen egg-white lysozyme at 0.94  Å from crystals grown by the counter-diffusion method

C. Sauter, F. Otálora, J.-A. Gavira, O. Vidal, R. Giegé and J. M. García-Ruiz

Synopsis: Counter-diffusion was used to produce very high quality crystals of tetragonal lysozyme. Their analysis at atomic resolution (0.94  Å) leads to a detailed description of alternate conformations and of ion binding.

PDB reference: 1iee

Online 23 July 2001


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Acta Cryst. (2001). D57, 1127-1134  [ doi:10.1107/S0907444901006783 ]

COMO: a program for combined molecular replacement

G. Jogl, X. Tao, Y. Xu and L. Tong

Synopsis: COMO is a new program for structure determination by the combined molecular-replacement protocol.

Online 23 July 2001


crystallization papers


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Acta Cryst. (2001). D57, 1135-1137  [ doi:10.1107/S090744490100614X ]

Crystallization and preliminary X-ray analysis of jararhagin, a metalloproteinase/disintegrin from Bothrops jararaca snake venom

D. H. F. Souza, H. S. Selistre-de-Araujo, A. M. Moura-da-Silva, M. S. Della-Casa, G. Oliva and R. C. Garratt

Synopsis: Jararhagin, a metalloprotease/disintegrin-like protein from the venom of B. jararaca, was crystallized and a molecular-replacement solution was obtained using a homology-built model based on the crystal structure of a haemorrhagic zinc metalloproteinase. Refinement techniques are currently being employed in attempts to locate the disintegrin-like domain of the structure.

Online 23 July 2001


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Acta Cryst. (2001). D57, 1138-1140  [ doi:10.1107/S090744490100748X ]

Cloning, purification and characterization of the 6-phospho-3-hexulose isomerase YckF from Bacillus subtilis

E. J. Taylor, S. J. Charnock, J. Colby, G. J. Davies and G. W. Black

Synopsis: The 6-phospho-3-hexulose isomerase, YckF, from B. subtilis, was expressed in E. coli, purified to homogeneity and crystallized. Crystals of YckF were shown to diffract beyond 1.7  Å and belong to either space group P6522 or P6122, with unit-cell parameters a = b = 72.4, c = 241.2  Å, and have two molecules in the asymmetric unit.

Online 23 July 2001


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Acta Cryst. (2001). D57, 1141-1143  [ doi:10.1107/S0907444901007491 ]

Characterization of a novel pectate lyase, Pel10A, from Pseudomonas cellulosa

S. J. Charnock, I. E. Brown, J. P. Turkenburg, G. W. Black and G. J. Davies

Synopsis: The catalytic module of pectate lyase 10A, Pel10Acm, from P. cellulosa, was expressed in E. coli, purified to homogeneity and crystallized. Crystals of Pel10Acm were shown to diffract beyond 1.5  Å and belong to space group P21, with unit-cell parameters a = 47.7, b = 106.1, c = 55.4  Å, [beta] = 92.0°, and have two molecules in the asymmetric unit.

Online 23 July 2001


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Acta Cryst. (2001). D57, 1144-1146  [ doi:10.1107/S0907444901007739 ]

Liganded and unliganded forms of Antarctic fish haemoglobins in polyethylene glycol: crystallization of an R-state haemichrome intermediate

A. Riccio, L. Vitagliano, G. di Prisco, A. Zagari and L. Mazzarella

Synopsis: The first crystallization of a vertebrate haemoglobin in the haemichrome state is presented.

Online 23 July 2001


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Acta Cryst. (2001). D57, 1147-1149  [ doi:10.1107/S0907444901007909 ]

Crystallization and preliminary X-ray crystallographic analysis of deoxyuridine triphosphate nucleotidohydrolase from Saccharomyces cerevisiae

B. W. Han, J. Y. Lee, J. K. Yang, B. I. Lee and S. W. Suh

Synopsis: Orthorhombic crystals of dUTPase from S. cerevisiae have been obtained. Native data have been collected to 2.7  Å using synchrotron X-rays.

Online 23 July 2001


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Acta Cryst. (2001). D57, 1150-1152  [ doi:10.1107/S090744490100868X ]

Crystals of a mutant form of ribosomal protein L22 rendering bacterial ribosomes resistant to erythromycin

N. Davydova, R. Fedorov, V. Streltsov, A. Liljas and M. Garber

Synopsis: A mutant form of T. thermophilus ribosomal protein L22 responsible for erythromycin resistance has been crystallized and X-ray diffraction data have been collected to 1.8  Å resolution.

Online 23 July 2001


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Acta Cryst. (2001). D57, 1153-1156  [ doi:10.1107/S0907444901005558 ]

Preparation and crystallization of the stimulatory and inhibitory complexes of GTP cyclohydrolase I and its feedback regulatory protein GFRP

N. Maita, K. Okada, S. Hirotsu, K. Hatakeyama and T. Hakoshima

Synopsis: Crystals of the stimulatory and inhibitory complexes of GTP cyclohydrolase I and its feedback regulatory protein GFRP were obtained. It was shown that each complex consists of two GTPCHI pentamer rings and two GFRP pentamer rings with pseudo-52 point-group symmetry.

Online 23 July 2001


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Acta Cryst. (2001). D57, 1157-1158  [ doi:10.1107/S0907444901008927 ]

Crystallization and preliminary X-ray analysis of catalase-peroxidase from the halophilic archaeon Haloarcula marismortui

Y. Yamada, S. Saijo, T. Sato, N. Igarashi, H. Usui, T. Fujiwara and N. Tanaka

Synopsis: The catalase-peroxidase from the halophilic archaeon H. marismortui was purified and successfully crystallized. The crystal diffracts beyond 2.0  Å resolution and belongs to the space group C2.

Online 23 July 2001


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Acta Cryst. (2001). D57, 1159-1161  [ doi:10.1107/S090744490100871X ]

Crystallization and preliminary X-ray crystallographic studies of recombinant thermoresistant gluconate kinase GntK from Escherichia coli

L. Kraft, G. A. Sprenger and Y. Lindqvist

Synopsis: Gluconate kinase from E. coli has been expressed, purified, and crystallized in three different crystal forms. The crystals diffract to 2.0  Å resolution using synchrotron radiation.

Online 23 July 2001


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Acta Cryst. (2001). D57, 1162-1163  [ doi:10.1107/S090744490100926X ]

Crystallization and preliminary crystallographic studies of an apoptosis-linked calcium-binding protein ALG-2

F. Wu, M. Zhang and W. Gong

Synopsis: ALG-2 is an apoptosis-linked Ca2+-binding protein required for T-cell receptor-induced, Fas-induced and glucocorticoid-induced cell death. Ca2+-free ALG-2 was crystallized in two crystal forms by the hanging-drop vapour-diffusion method.

Online 23 July 2001


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Acta Cryst. (2001). D57, 1164-1166  [ doi:10.1107/S0907444901009416 ]

Expression, refolding and crystallization of the OpcA invasin from Neisseria meningitidis

S. M. Prince, C. Feron, D. Janssens, Y. Lobet, M. Achtman, B. Kusecek, P. A. Bullough and J. P. Derrick

Synopsis: A method for the expression, refolding, purification and crystallization of the OpcA invasin from the bacterial pathogen N. meningitidis is described. Diffraction data sets have been collected to 2.0  Å resolution.

Online 23 July 2001


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Acta Cryst. (2001). D57, 1167-1170  [ doi:10.1107/S0907444901009556 ]

Coexpression, copurification, crystallization and preliminary X-ray analysis of a complex of ARL2-GTP and PDE [delta]

L. Renault, M. Hanzal-Bayer and R. C. Hillig

Synopsis: A complex of the small GTPase ARL2-GTP and a putative effector protein, the [delta] subunit of the human cGMP phosphodiesterase (hPDE [delta]), was successfully crystallized after co-expression of both proteins in E. coli and subsequent copurification. While a first crystal form grew within days and diffracted to 2.3  Å, a second form recrystallized afer several months and diffracted to 1.8  Å.

Online 23 July 2001


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Acta Cryst. (2001). D57, 1171-1173  [ doi:10.1107/S0907444901009568 ]

Crystallization and preliminary X-ray study of endopolygalacturonase from the pathogenic fungus Stereum purpureum

T. Shimizu, T. Nakatsu, K. Miyairi, T. Okuno and H. Kato

Synopsis: Crystals of endopolygalacturonase I from S. purpureum have been obtained by vapour-diffusion method. The crystals diffract to ultrahigh (0.96  Å) resolution using synchrotron radiation and belong to space group P1, with unit-cell parameters a = 37.26, b = 46.34, c = 52.05  Å, [alpha] = 67.17, [beta] = 72.44 and [gamma] = 68.90°.

Online 23 July 2001


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Acta Cryst. (2001). D57, 1174-1176  [ doi:10.1107/S090744490100957X ]

Expression, purification, crystallization and preliminary X-ray diffraction analysis of the human calcium-binding protein MRP14 (S100A9)

H. Itou, I. Fujita, K. Ishikawa, M. Yao, N. Watanabe, M. Suzuki, J. Nishihira and I. Tanaka

Synopsis: Human calcium-binding protein MRP14 was crystallized and preliminary X-ray diffraction studies were performed.

Online 23 July 2001


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Acta Cryst. (2001). D57, 1177-1179  [ doi:10.1107/S0907444901009611 ]

Crystallization and preliminary X-ray diffraction data of the second and archaebacterial-type aspartyl-tRNA synthetase from Thermus thermophilus

C. Charron, H. Roy, B. Lorber, D. Kern and R. Giegé

Synopsis: The second and archaebacterial-type aspartyl-tRNA synthetase from the eubacterium T. thermophilus has been crystallized at pH 9.5 in space group P212121. Data were collected to 2.5  Å and molecular replacement gave solutions for the rotation and translation functions.

Online 23 July 2001


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Acta Cryst. (2001). D57, 1180-1183  [ doi:10.1107/S0907444901009805 ]

Purification, crystallization and identification by X-ray analysis of a prostate kallikrein from horse seminal plasma

A. L. Carvalho, J. M. Dias, L. Sanz, A. Romero, J. J. Calvete and M. J. Romão

Synopsis: Prostate kallikrein isolated from horse seminal plasma has been crystallized by the vapour-diffusion method using polyethylene glycol in the crystallization solution. Data collection under cryogenic conditions allowed the determination of the space group (C2) and the unit-cell parameters (a = 72.6, b = 79.1, c = 45.7  Å, [beta] = 98.3°).

Online 23 July 2001


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Acta Cryst. (2001). D57, 1184-1186  [ doi:10.1107/S0907444901009817 ]

Crystallization and preliminary X-ray analysis of clade I catalases from Pseudomonas syringae and Listeria seeligeri

X. Carpena, R. Perez, W. F. Ochoa, N. Verdaguer, M. Klotz, J. Switala, W. Melik-Adamyan, I. Fita and P. C. Loewen

Synopsis: In order to obtain the structure of an enzyme from clade I of the haem-containing catalases, two bacterial catalases, CatF from P. syringae and Kat from L. seeligeri, have been crystallized by the hanging-drop vapour-diffusion technique, using PEG and ammonium sulfate as precipitants, respectively.

Online 23 July 2001


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Acta Cryst. (2001). D57, 1187-1188  [ doi:10.1107/S0907444901009970 ]

Crystallization and preliminary X-ray diffraction studies on the N-utilizing substance A (NusA) from Mycobacterium tuberculosis

B. Gopal, K. G. Papavinasasundaram, M. J. Colston, G. Dodson and L. F. Haire

Synopsis: The N-utilizing substance A (NusA) from M. tuberculosis has been crystallized. Diffraction data for the native protein to 1.7  Å resolution have been collected.

Online 23 July 2001


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Acta Cryst. (2001). D57, 1189-1191  [ doi:10.1107/S0907444901010137 ]

Crystallization and preliminary X-ray diffraction studies of recombinant Escherichia coli 4-diphosphocytidyl-2-C-methyl-D-erythritol synthetase

L. E. Kemp, C. S. Bond and W. N. Hunter

Synopsis: A bacterial enzyme involved in the non-mevalonate pathway of isoprenoid biosynthesis has been cloned, purified and crystallized.

Online 23 July 2001


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Acta Cryst. (2001). D57, 1192-1195  [ doi:10.1107/S0907444901010149 ]

The preparation and crystallization of Fab fragments of a family of mouse esterolytic catalytic antibodies and their complexes with a transition-state analogue

T. A. Muranova, S. N. Ruzheinikov, S. E. Sedelnikova, A. Moir, L. J. Partridge, H. Kakinuma, N. Takahashi, K. Shimazaki, J. Sun, Y. Nishi and D. W. Rice

Synopsis: Fab fragments of a family of related mouse esterolytic monoclonal antibodies differing in their catalytic power have been crystallized alone and in complex with a transition-state analogue in forms suitable for high-resolution structure determination.

Online 23 July 2001


short communications


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Acta Cryst. (2001). D57, 1196-1200  [ doi:10.1107/S0907444901007703 ]

Structure of human muscle creatine kinase

Y. Shen, L. Tang, H. Zhou and Z. Lin

Synopsis: The crystal structure of human muscle creatine kinase has been determined by molecular replacement at 3.5  Å resolution. Both strict and approximate twofold symmetry dimers exist in the crystal.

PDB reference: 1i0e

Online 23 July 2001


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Acta Cryst. (2001). D57, 1201-1203  [ doi:10.1107/S0907444901007697 ]

Molray - a web interface between O and the POV-Ray ray tracer

M. Harris and T. A. Jones

Synopsis: This public web service allows quick and easy production of publication-quality images from the molecular-modelling program O.

Online 23 July 2001


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Acta Cryst. (2001). D57, 1204-1207  [ doi:10.1107/S0907444901007892 ]

A test of macromolecular crystallization in microgravity: large well ordered insulin crystals

G. E. O. Borgstahl, A. Vahedi-Faridi, J. Lovelace, H. D. Bellamy and E. H. Snell

Synopsis: A statistically significant and unbiased test on insulin crystals shows that crystals grown in microgravity are superior to those grown in unit gravity.

Online 23 July 2001


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