Acta Crystallographica Section D

Biological Crystallography

Volume 57, Part 1 (January 2001)



[Issue Author Index][Volume Author Index]
[Cover illustration] Cover illustration: Binding pocket of calf spleen PNP described through the solvent-accessible surface calculated without phosphate and inhibitor (p. 30).

research papers


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Acta Cryst. (2001). D57, 1-7  [ doi:10.1107/S0907444900013767 ]

Structure of tetragonal crystals of human erythrocyte catalase

M. K. Safo, F. N. Musayev, S.-H. Wu, D. J. Abraham and T.-P. Ko

Synopsis: In the crystal structure of human erythrocyte catalase, the N- and C-terminal segments corresponding to the first and last exons of the gene were not located in the tetragonal I41 form. Two similar types of lattice contacts between the HEC molecules were related by a pseudo-4122 symmetry.

PDB reference: 1f4j

Online 1 January 2001


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Acta Cryst. (2001). D57, 8-19  [ doi:10.1107/S0907444900014116 ]

Fusarium oxysporum trypsin at atomic resolution at 100 and 283  K: a study of ligand binding

W. Rypniewski, P. Østergaard, M. Nørregaard-Madsen, M. Dauter and K. S. Wilson

Synopsis: The paper presents results of atomic resolution X-ray studies of the F. oxysporum trypsin with its own autolysis products and in the presence of the added amino acids arginine, lysine and glutamate to investigate their binding in the S1 specificity pocket.

PDB references: 1gdu, 1gdq, 1fn8, 1gdn, 1fy5 and 1fy4

Online 1 January 2001


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Acta Cryst. (2001). D57, 20-29  [ doi:10.1107/S090744490001458X ]

The three-dimensional structure of human S100A12

O. V. Moroz, A. A. Antson, G. N. Murshudov, N. J. Maitland, G. G. Dodson, K. S. Wilson, I. Skibshøj, E. M. Lukanidin and I. B. Bronstein

Synopsis: The structure of human EF-hand calcium-binding protein S100A12 in its calcium-bound form has been determined to 1.95  Å resolution. Comparison between members of the S100 family suggests the location of the target-binding region of S100A12 and provides a better understanding of the role of the residues important for intra- and inter-subunit hydrophobic interactions.

PDB reference: 1e8a

Online 1 January 2001


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Acta Cryst. (2001). D57, 30-36  [ doi:10.1107/S0907444900014402 ]

Calf spleen purine nucleoside phosphorylase: structure of its ternary complex with an N(7)-acycloguanosine inhibitor and a phosphate anion

M. Luic, G. Koellner, D. Shugar, W. Saenger and A. Bzowska

Synopsis: The crystal structure of the ternary complex of calf spleen purine nucleoside phosphonylase (PNP) with an N(7)-acycloguanosine inhibitor and phosphate shows the guanine base in an inverted orientation and the acyclonucleoside chain in a folded conformation. This new binding mode accounts for the observed substrate properties of 7-[beta]-D-ribonuclosides, and also provides a new lead for the design of PNP inhibitor.

PDB reference: 1fxu

Online 1 January 2001


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Acta Cryst. (2001). D57, 37-43  [ doi:10.1107/S0907444900015547 ]

Structure elucidation of [beta]-mannanase: from the electron-density map to the DNA sequence

M. Hilge, A. Perrakis, J. P. Abrahams, K. Winterhalter, K. Piontek and S. M. Gloor

Synopsis: The crystal structure of T. fusca [beta]-mannanase has been solved despite the absence of the major part of the amino-acid sequence. A high-quality electron-density map provided the necessary information to obtain the corresponding DNA sequence.

PDB reference: 1bqc

Online 1 January 2001


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Acta Cryst. (2001). D57, 44-51  [ doi:10.1107/S090744490001492X ]

Further insights into the mechanism of function of the response regulator CheY from crystallographic studies of the CheY-CheA124-257 complex

P. Gouet, N. Chinardet, M. Welch, V. Guillet, S. Cabantous, C. Birck, L. Mourey and J.-P. Samama

Synopsis: The structure of the CheY-CheA124-257 complex has been determined in three conditions: the native form, after soaking with a phosphorylating agent and after soaking with an inhibitor of the phosphorylation reaction. According to the geometry of the CheY active site, these structures illustrate different functional states of the response regulator.

PDB references: 1ffg, 1ffs and 1ffw

Online 1 January 2001


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Acta Cryst. (2001). D57, 52-60  [ doi:10.1107/S0907444900015274 ]

Crystallization and 2.2  Å resolution structure of R-phycoerythrin from Gracilaria chilensis: a case of perfect hemihedral twinning

C. Contreras-Martel, J. Martinez-Oyanedel, M. Bunster, P. Legrand, C. Piras, X. Vernede and J.-C. Fontecilla-Camps

Synopsis: The crystal structure of R-phycoeythrin has been determined in the R3 space group from a twinned crystal using SHELX97. The 2.2  Å resolution refined model shows good stereochemistry; the data also allowed the proposal of the presence of a helical segment of linker protein in the central channel of R-PE.

PDB reference: 1eyx

Online 1 January 2001


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Acta Cryst. (2001). D57, 61-68  [ doi:10.1107/S0907444900014578 ]

Dynamic response of tetragonal lysozyme crystals to changes in relative humidity: implications for post-growth crystal treatments

I. Dobrianov, S. Kriminski, C. L. Caylor, S. G. Lemay, C. Kimmer, A. Kisselev, K. D. Finkelstein and R. E. Thorne

Synopsis: The dynamic response of tetragonal lysozyme crystals to dehydration shows the abruptness, metastability and hysteresis characteristic of a structural transition. The success of more general post-growth crystal treatments may rest on either avoiding lattice transitions, minimizing disorder created during such transitions or maintaining the lattice in an ordered metastable state.

Online 1 January 2001


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Acta Cryst. (2001). D57, 69-81  [ doi:10.1107/S0907444900013299 ]

X-ray beam/biomaterial thermal interactions in third-generation synchrotron sources

T. M. Kuzay, M. Kazmierczak and B. J. Hsieh

Synopsis: Improved thermal models that include convection are developed which replace Helliwell's adiabatic approximation. Temperature rises of 6  K are calculated for a cryocooled 100  µm thick crystal and of 18  K for a room-temperature air-cooled 1  mm thick crystal for an 8  keV 1013  photons  s-1  mm-2 beam. The importance of internal heat conduction within the crystal is also carefully examined.

Online 1 January 2001


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Acta Cryst. (2001). D57, 82-94  [ doi:10.1107/S0907444900014098 ]

A number of real-space torsion-angle refinement techniques for proteins, nucleic acids, ligands and solvent

T. J. Oldfield

Synopsis: A number of real-space torsion-angle refinement techniques have been implemented in a model-building program providing near-automation for macromolecular structure tracing and model building.

Online 1 January 2001


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Acta Cryst. (2001). D57, 95-100  [ doi:10.1107/S0907444900014244 ]

Ab initio structure determinations by direct-space methods: tests of low-density elimination

N. Matsugaki and M. Shiono

Synopsis: The low-density elimination method has been improved and tested for ab initio solutions of several structures including proteins.

Online 1 January 2001


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Acta Cryst. (2001). D57, 101-107  [ doi:10.1107/S0907444900014591 ]

Locating the anomalous scatterers within a crystal using dual-wavelength X-ray diffraction measurements

R. L. Kingston

Synopsis: The problem of calculating the structure-factor amplitudes of the anomalously scattering atoms within a protein crystal is considered.

Online 1 January 2001


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Acta Cryst. (2001). D57, 108-121  [ doi:10.1107/S0907444900014608 ]

Low-resolution data analysis for low-density lipoprotein particle

V. Y. Lunin, N. L. Lunina, S. Ritter, I. Frey, A. Berg, K. Diederichs, A. D. Podjarny, A. Urzhumtsev and M. W. Baumstark

Synopsis: A preliminary crystallographic model for the low-density lipoprotein (LDL) particle was obtained at a resolution of 27  Å using several ab initio phasing methods.

Online 1 January 2001


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Acta Cryst. (2001). D57, 122-133  [ doi:10.1107/S0907444900014736 ]

Use of TLS parameters to model anisotropic displacements in macromolecular refinement

M. D. Winn, M. N. Isupov and G. N. Murshudov

Synopsis: The implementation in the program REFMAC of anisotropic refinement with a small number of parameters via the TLS parameterization is described. Sample results are given for two examples, which show improvements in the free R factor of several percent and an improved description of NCS-related molecules.

Online 1 January 2001


crystallization papers


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Acta Cryst. (2001). D57, 134-136  [ doi:10.1107/S0907444900013810 ]

Crystallization of agGST1-6, a recombinant glutathione S-transferase from a DDT-resistant strain of Anopheles gambiae

P. H. Roberts, X. Zhou, A. M. Holmes, H. Ranson, G. Small, J. Hemingway, J. D. Ng, L. Chen and E. J. Meehan

Synopsis: Crystals of the recombinant form of a glutathione S-transferase from A. gambiae, agGST1-6, have been grown in at least five different crystal forms with a broad range of effective resolution.

Online 1 January 2001


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Acta Cryst. (2001). D57, 137-139  [ doi:10.1107/S0907444900013822 ]

Recombinant chemosensory protein (CSP2) from the moth Mamestra brassicae: crystallization and preliminary crystallographic study

V. Campanacci, S. Spinelli, A. Lartigue, C. Lewandowski, K. Brown, M. Tegoni and C. Cambillau

Synopsis: The first crystals from a chemosensory protein, CSP2, have been obtained by the hanging-drop vapour-diffusion method.

Online 1 January 2001


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Acta Cryst. (2001). D57, 140-142  [ doi:10.1107/S0907444900014001 ]

Purification, crystallization and preliminary X-ray analysis of a maize cytokinin glucoside specific [beta]-glucosidase

J. Vévodová, J. Marek, J. Zouhar, B. Brzobohatý and X.-D. Su

Synopsis: A growth-promoting [beta]-glucosidase in plants, Zm-p60.1 from maize, has been overexpressed, purified and crystallized. Several crystal forms have been observed, one of which diffracts to better than 2.0  Å.

Online 1 January 2001


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Acta Cryst. (2001). D57, 143-144  [ doi:10.1107/S0907444900014050 ]

Crystallization and preliminary X-ray crystallographic analysis of S-allelic glycoprotein SF11-RNase from Nicotiana alata

K. Ida, T. Shinkawa, S. Norioka, E. Newbigin, A. E. Clarke, F. Sakiyama and M. Sato

Synopsis: Monoclinic crystals of N. alata SF11-RNase have been obtained. Native data have been collected to 1.55  Å resolution using the SPring-8 synchrotron-radiation source.

Online 1 January 2001


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Acta Cryst. (2001). D57, 145-147  [ doi:10.1107/S0907444900014062 ]

Crystallization and preliminary X-ray analysis of (R)-specific enoyl-CoA hydratase from Aeromonas caviae involved in polyhydroxyalkanoate biosynthesis

T. Hisano, T. Fukui, T. Iwata and Y. Doi

Synopsis: (R)-Hydratase from A. caviae involved in PHA biosynthesis has been crystallized in space group C2, with unit-cell parameters a = 111.54, b = 59.29, c = 47.27  Å, [beta] = 113.04°.

Online 1 January 2001


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Acta Cryst. (2001). D57, 148-149  [ doi:10.1107/S0907444900014232 ]

Crystallization and preliminary X-ray crystallographic analysis of DFPase from Loligo vulgaris

E. I. Scharff, C. Lücke, G. Fritzsch, J. Koepke, J. Hartleib, S. Dierl and H. Rüterjans

Synopsis: The `squid-type' DFPase from L. vulgaris has been recombinantly expressed and crystallized. The orthorhombic crystals diffracted beyond 2.0  Å resolution using a Cu  K[alpha] radiation source.

Online 1 January 2001


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Acta Cryst. (2001). D57, 150-152  [ doi:10.1107/S0907444900014669 ]

Expression, purification, crystallization and preliminary X-ray analysis of Escherichia coli 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase

J. E. Lee, K. A. Cornell, M. K. Riscoe and P. L. Howell

Synopsis: A histidine-tagged form of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from E. coli has been overexpressed and crystallized. A native data set, complete to 2.3  Å has been collected.

Online 1 January 2001


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Acta Cryst. (2001). D57, 153-155  [ doi:10.1107/S0907444900015250 ]

Crystallization and preliminary X-ray study of pig liver dihydropyrimidine dehydrogenase

D. Dobritzsch, K. Persson, G. Schneider and Y. Lindqvist

Synopsis: Dihydropyrimidine dehydrogenase catalyzes reduction of pyrimidine bases to the corresponding 5,6-dihydro derivatives, the first step in the pyrimidine catabolic pathway. Crystals of this enzyme diffract to at least 2.5  Å and belong to space group P21 (unit-cell parameters a = 82.0, b = 159.3, c = 163.6  Å, [beta] = 96.1°).

Online 1 January 2001


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Acta Cryst. (2001). D57, 156-158  [ doi:10.1107/S0907444900015468 ]

Crystallization and preliminary crystallographic studies on the large extracellular domain of human CD81, a tetraspanin receptor for hepatitis C virus

K. Kitadokoro, G. Galli, R. Petracca, F. Falugi, G. Grandi and M. Bolognesi

Synopsis: The large extracellular domain of CD81, a member of the tetraspanin family and a receptor protein for hepatitis C virus envelope E2 glycoprotein, has been expressed, purified and subsequently crystallized using the sitting-drop vapour-diffusion technique.

Online 1 January 2001


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Acta Cryst. (2001). D57, 159-161  [ doi:10.1107/S0907444900015559 ]

Crystallization of the yeast elongation factor complex eEF1A-eEF1B[alpha]

L. Pedersen, G. R. Andersen, C. R. Knudsen, T. G. Kinzy and J. Nyborg

Synopsis: The yeast translation elongation factor complex eEF1A-eEF1B[alpha] has been crystallized and data collected to 1.67  Å. The phases were determined from a three-wavelength MAD experiment with three selenomethionines in the 61  kDa asymmetric unit.

Online 1 January 2001


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Acta Cryst. (2001). D57, 162-164  [ doi:10.1107/S0907444900016413 ]

Expression, purification, crystallization and preliminary X-ray analysis of the native class C [beta]-lactamase from Enterobacter cloacae 908R and two mutants

J. Wouters, P. Charlier, D. Monnaie, J.-M. Frère and E. Fonzé

Synopsis: Expression, purification and crystallization of class-C [beta]-lactamase from E. cloacae 908R and two point mutants (S64C and S84C) are reported together with the preliminary X-ray analysis.

Online 1 January 2001


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Acta Cryst. (2001). D57, 165-167  [ doi:10.1107/S0907444900014918 ]

Purification, crystallization and quaternary structure analysis of a glycerol dehydrogenase S305C mutant from Bacillus stearothermophilus

J. Burke, S. Ruzheinikov, S. Sedelnikova, P. Baker, D. Holmes, N. Muir, M. Gore and D. Rice

Synopsis: Crystals of a S305C GlyDH mutant were obtained by the hanging-drop vapour-diffusion method, using ammonium sulfate and PEG 400 as precipitating agents, in the presence and absence of NAD+. The crystals belong to space group I422, with approximate unit-cell parameters a = b = 105, c = 149  Å and one subunit in the asymmetric unit, corresponding to a packing density of 2.6  Å3  Da-1.

Online 1 January 2001


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Acta Cryst. (2001). D57, 168-171  [ doi:10.1107/S0907444900017376 ]

Crystallization and preliminary structure determination of an intact human immunoglobulin, b12: an antibody that broadly neutralizes primary isolates of HIV-1

E. O. Saphire, P. W. H. I. Parren, C. F. Barbas, D. R. Burton and I. A. Wilson

Synopsis: An intact human immunoglobulin with a full-length hinge has been crystallized for the first time in a form in which all of the Ig domains are ordered.

Online 1 January 2001


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Acta Cryst. (2001). D57, 172-173  [ doi:10.1107/S090744490001756X ]

Purification and crystallization of Japanese pear S-RNase associated with gametophytic self-incompatibility

T. Matsuura, M. Unno, H. Sakai, T. Tsukihara and S. Norioka

Synopsis: Monoclinic crystals of Japanese pear S3-RNase have been obtained. Native data have been collected to 1.5  Å resolution using the SPring-8 synchrotron-radiation source.

Online 1 January 2001


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Acta Cryst. (2001). D57, 174-179  [ doi:10.1107/S0907444900016383 ]

Notes for authors

Online 1 January 2001


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