Acta Crystallographica Section D

Biological Crystallography

Volume 56, Part 12 (December 2000)



[Issue Author Index][Volume Author Index]
[Cover illustration] Cover illustration: Nucleosome core particle with the protein represented by ribbon models of the secondary-structure elements and DNA indicating base pairing between complementary strands (p. 1513).

research papers


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Acta Cryst. (2000). D56, 1513-1534  [ doi:10.1107/S0907444900011847 ]

Asymmetries in the nucleosome core particle at 2.5 Å resolution

J. M. Harp, B. L. Hanson, D. E. Timm and G. J. Bunick

Synopsis: The structure of the nucleosome core particle at 2.5 Å resolution is presented. Asymmetries found in the structure are examined and discussed along with details of ion binding, hydration and lattice-packing interactions.

PDB reference: 1eqz

Online December 2000


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Acta Cryst. (2000). D56, 1535-1540  [ doi:10.1107/S0907444900012002 ]

A systematic case study on using NMR models for molecular replacement: p53 tetramerization domain revisited

Y. W. Chen and G. M. Clore

Synopsis: A systematic molecular-replacement case study revealed an approximate correlation between the accuracy of an NMR search model and the clarity and quality of the solution. Ensemble models were found to have a larger tolerance in inaccuracy than single averaged models and are more likely to lead to success.

Online December 2000


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Acta Cryst. (2000). D56, 1541-1548  [ doi:10.1107/S0907444900012749 ]

R6 hexameric insulin complexed with m-cresol or resorcinol

G. D. Smith, E. Ciszak, L. A. Magrum, W. A. Pangborn and R. H. Blessing

Synopsis: The structures of three R6 hexameric insulin structures are reported, two of which are monoclinic and complexed with either m-cresol or resorcinol, and one rhombohedral complexed with m-cresol.

PDB references: 1evr, 1ev6 and 1ev3

Online December 2000


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Acta Cryst. (2000). D56, 1549-1553  [ doi:10.1107/S0907444900013901 ]

The first protein crystal structure determined from high-resolution X-ray powder diffraction data: a variant of T3R3 human insulin-zinc complex produced by grinding

R. B. Von Dreele, P. W. Stephens, G. D. Smith and R. H. Blessing

Synopsis: High-resolution synchrotron X-ray powder diffraction data have been used to solve the crystal structure of a new variant T3R3 human insulin-zinc complex produced by mechanical grinding of a polycrystalline sample.

PDB references: 1fub and 1fu2

Online December 2000


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Acta Cryst. (2000). D56, 1554-1559  [ doi:10.1107/S0907444900011987 ]

Ab initio phasing of a 4189-atom protein structure at 1.2 Å resolution

J. R. H. Tame

Synopsis: The phases have been determined directly of the 59 kDa protein OppA co-crystallized with uranyl ions.

Online December 2000


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Acta Cryst. (2000). D56, 1560-1568  [ doi:10.1107/S0907444900012889 ]

Structure of a family IIIa scaffoldin CBD from the cellulosome of Clostridium cellulolyticum at 2.2 Å resolution

L. J. W. Shimon, S. Pagès, A. Belaich, J.-P. Belaich, E. A. Bayer, R. Lamed, Y. Shoham and F. Frolow

Synopsis: The crystal structure of the family IIIa cellulose-binding domain (CBD) from the cellulosomal scaffoldin subunit of C. cellulolyticum was determined. The structure proved very similar to the previously elucidated scaffoldin CBD from C. thermocellum, which enabled comparative analysis of possible functional consequences in the shallow groove and cellulose-binding faces among various CBD families.

PDB reference: 1g43

Online December 2000


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Acta Cryst. (2000). D56, 1569-1576  [ doi:10.1107/S0907444900013342 ]

Zinc/calcium- and cadmium/cadmium-substituted concanavalin A: interplay of metal binding, pH and molecular packing

J. Bouckaert, R. Loris and L. Wyns

Synopsis: The crystal structures of ZnCa con A at pH 6.15 and CdCd con A at pH 5.0 reveal the role of the crystal environment in the structure of the protein surface. Alternative molecular packings of the con A subunits are established to satisfy the interdependent conditions of pH, quaternary structure and crystal packing. These packings are further stabilized by the formation of supplementary metal-binding sites, S3 and S4.

PDB references: 3enr and 2enr

Online December 2000


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Acta Cryst. (2000). D56, 1577-1582  [ doi:10.1107/S090744490001461X ]

Structure of cytochrome c6 from the red alga Porphyra yezoensis at 1.57 Å resolution

S. Yamada, S.-Y. Park, H. Shimizu, Y. Koshizuka, K. Kadokura, T. Satoh, K. Suruga, M. Ogawa, Y. Isogai, T. Nishio, Y. Shiro and T. Oku

Synopsis: The crystal structure of cytochrome c6 from the red alga P. yezoensis has been determined at 1.57 Å resolution. The sequence and the structure of the eukaryotic red algal cytochrome c6 are very similar to those of a prokaryotic cyanobacterial cytochrome c6 rather than those of eukaryotic green algae c6 cytochromes.

PDB reference: 1gdv

Online December 2000


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Acta Cryst. (2000). D56, 1583-1590  [ doi:10.1107/S0907444900010271 ]

Characterization of crystal content by ESI-MS and MALDI-MS

N. Potier, V. Lamour, A. Poterszman, J. C. Thierry, D. Moras and A. Van Dorsselaer

Synopsis: A general approach based on mass spectrometry is described for the rapid identification of the content of macromolecular crystals.

Online December 2000


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Acta Cryst. (2000). D56, 1591-1611  [ doi:10.1107/S0907444900011859 ]

ConfMatch: automating electron-density map interpretation by matching conformations

C. E. Wang

Synopsis: ConfMatch is a global real-space fitting procedure that builds a detailed protein model directly from the initial electron-density map. Experiments have shown that ConfMatch may be able to fully automate the interpretation of density maps of small proteins.

Online December 2000


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Acta Cryst. (2000). D56, 1612-1621  [ doi:10.1107/S0907444900013263 ]

General quadratic functions in real and reciprocal space and their application to likelihood phasing

K. Cowtan

Synopsis: The properties of a class of quadratic summations are examined under Fourier transformation of the working variables. The relationship with reciprocal-space (likelihood-based) solvent flattening is examined.

Online December 2000


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Acta Cryst. (2000). D56, 1622-1624  [ doi:10.1107/S0907444900013780 ]

An approach to multi-copy search in molecular replacement

A. Vagin and A. Teplyakov

Synopsis: The molecular-replacement method has been extended to a simultaneous search for multiple copies of the macromolecule in the unit cell using a special translation function.

Online December 2000


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Acta Cryst. (2000). D56, 1625-1629  [ doi:10.1107/S0907444900014104 ]

Crystallization of an AMPA receptor binding domain without agonist: importance of carbohydrate content and flash-cooling conditions

J. Féthière, A. Andersson, K. Keinänen and D. R. Madden

Synopsis: Enzymatic deglycosylation and cryoprotection with MPD improved the resolution of agonist-free AMPA receptor ligand-binding domain crystals from 7 to 2.6 Å.

Online December 2000


crystallization papers


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Acta Cryst. (2000). D56, 1630-1633  [ doi:10.1107/S0907444900010726 ]

Crystallization of the cytotoxic domain of a ribosome-inactivating colicin in complex with its immunity protein

S. Carr, D. Walker, R. James, C. Kleanthous and A. M. Hemmings

Synopsis: The ribonuclease domain of the ribosome-inactivating colicin E3 in complex with its inhibitor immunity protein has been cystallized. The crystals belong to the space group P3121 or its enantiomorph, with unit-cell parameters a = b = 93.7, c = 76.2 Å. Assuming a single copy of the complex in the asymmetric unit yields a solvent content of 72% and when flash-frozen at 100 K these crystals diffract to a resolution of 2.4 Å.

Online December 2000


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Acta Cryst. (2000). D56, 1634-1637  [ doi:10.1107/S0907444900011835 ]

Crystallization of the Mycobacterium tuberculosis cell-division protein FtsZ

A. K. W. Leung, E. L. White, L. J. Ross and D. W. Borhani

Synopsis: Several crystal forms of FtsZ, an essential cell-division protein of mycobacteria, are described, including that of a complex with a novel polymerization inhibitor, SRI-7614.

Online December 2000


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Acta Cryst. (2000). D56, 1638-1640  [ doi:10.1107/S0907444900012208 ]

A legume lectin from the bark of Robinia pseudoacacia crystallizes in two crystal forms: preliminary diffraction analyses

A. Rabijns, C. Verboven, E. J. M. Van Damme, W. J. Peumans and C. J. De Ranter

Synopsis: Crystals suitable for structural analysis have been prepared from RPbAI, a legume lectin from R. pseudoacacia.

Online December 2000


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Acta Cryst. (2000). D56, 1641-1643  [ doi:10.1107/S0907444900012671 ]

Crystallization of retinol dehydratase from Spodoptera frugiperda: improvement of crystal quality by modification by ethylmercurythiosalicylate

S. Pakhomova, J. G. Luz, M. Kobayashi, D. Mellman, J. Buck and M. E. Newcomer

Synopsis: The quality of a crystal of retinol dehydratase is significantly improved with covalent modification of the protein by ethylmercury.

Online December 2000


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Acta Cryst. (2000). D56, 1644-1646  [ doi:10.1107/S0907444900012683 ]

Crystallization and preliminary analysis of neurolysin

W. Lian, G. Chen, D. Wu, C. K. Brown, K. Madauss, L. B. Hersh and D. W. Rodgers

Synopsis: Crystals of the neuropeptidase neurolysin have been produced and shown to diffract to high resolution. Circular dichroism studies and sequence-based prediction indicate that the enzyme is primarily [alpha]-helical.

Online December 2000


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Acta Cryst. (2000). D56, 1647-1651  [ doi:10.1107/S0907444900012695 ]

Crystallization and preliminary X-ray analysis of tetracenomycin A2 oxygenase: a flavoprotein hydroxylase involved in polyketide biosynthesis

J. Beynon, E. R. Rafanan, B. Shen and A. J. Fisher

Synopsis: Tetracenomycin A2 oxygenase catalyzes the final step in the biosynthesis of the polyketide natural product tetracenomycin C. Tetracenomycin A2 oxygenase, which contains an FAD cofactor, catalyzes a novel triple hydroxylation reaction.

Online December 2000


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Acta Cryst. (2000). D56, 1652-1655  [ doi:10.1107/S0907444900012713 ]

Crystallization and preliminary X-ray diffraction analysis of MspI restriction endonuclease in complex with its cognate DNA

T. J. O'Loughlin, Q. Xu, R. B. Kucera, L. F. Dorner, S. Sweeney, I. Schildkraut and H.-C. Guo

Synopsis: The crystallization and preliminary characterization of the MspI restriction endonuclease-DNA complex is reported. Crystals belong to the monoclinic space group and diffract to beyond 2.0 Å.

Online December 2000


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Acta Cryst. (2000). D56, 1656-1658  [ doi:10.1107/S0907444900012890 ]

Purification, crystallization and preliminary X-ray diffraction studies of xanthine dehydrogenase and xanthine oxidase isolated from bovine milk

B. T. Eger, K. Okamoto, C. Enroth, M. Sato, T. Nishino, E. F. Pai and T. Nishino

Synopsis: The structures of both the dehydrogenase and oxidase forms of xanthine oxidoreductase have been determined.

Online December 2000


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Acta Cryst. (2000). D56, 1659-1661  [ doi:10.1107/S0907444900012907 ]

Crystallization and preliminary X-ray analysis of earthworm fibrinolytic enzyme component A from Eisenia fetida

Y. Tang, J. Zhang, L. Gui, C. Wu, R. Fan, W. Chang and D. Liang

Synopsis: Earthworm fibrinolytic enzyme component A, a protein which functions both as a direct fibrinolytic enzyme and a plasminogen activator, has been crystallized in the orthorhombic space group P212121. The single crystals diffract to 1.95 Å resolution using synchrotron radiation.

Online December 2000


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Acta Cryst. (2000). D56, 1662-1664  [ doi:10.1107/S090744490001297X ]

Crystallization of the catalytic domain of murine terminal deoxynucleotidyl transferase

N. Sukumar, J. B. Boulé, N. Expert-Bezançon, N. Jourdan, J. Lescar, F. Rougeon, C. Papanicolaou and M. Delarue

Synopsis: The catalytic domain of murine terminal deoxynucleotidyl transferase has been crystallized in its active form. The crystals diffract up to 2.4 Å resolution.

Online December 2000


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Acta Cryst. (2000). D56, 1665-1667  [ doi:10.1107/S0907444900013251 ]

Crystallization and preliminary crystallographic characterization of recombinant L-methionine-[alpha]-deamino-[gamma]-mercaptomethane lyase (methioninase)

V. Sridhar, M. Xu, Q. Han, X. Sun, Y. Tan, R. M. Hoffman and G. S. Prasad

Synopsis: Recombinant L-methionine-[alpha]-deamino-[gamma]-mercaptomethane lyase from P. putida has been crystallized. Native data have been collected to 2.68 Å resolution using synchrotron X-rays.

Online December 2000


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Acta Cryst. (2000). D56, 1668-1669  [ doi:10.1107/S0907444900013305 ]

Crystallization and preliminary X-ray analysis of endopolygalacturonase SE1 from Trichosporon penicillatum

C.-T. Lu, T. Tada, Y. Nakamura, K. Wada, K. Nishimura, Y. Katsuya, M. Sawada, M. Takao and T. Sakai

Synopsis: Endopolygalacturonase SE1 from T. penicillatum was crystallized and diffracted to 2.0 Å resolution. The crystals belong to the hexagonal space group P61 or P65, with unit-cell parameters a = b = 135.0, c = 70.7 Å, [gamma] = 120°.

Online December 2000


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Acta Cryst. (2000). D56, 1670-1672  [ doi:10.1107/S0907444900013317 ]

Crystallization and preliminary X-ray analysis of a recombinant Fab fragment in complex with 17[beta]-oestradiol

U. Lamminmäki and J. Kankare

Synopsis: A recombinant anti-17[beta]-oestradiol Fab fragment was overexpressed, purified and crystallized in the presence and absence of oestradiol using microseeding and co-crystallization. The crystals diffracted to 2.0 Å resolution and allowed high-resolution X-ray structure determination.

Online December 2000


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Acta Cryst. (2000). D56, 1673-1675  [ doi:10.1107/S0907444900013366 ]

Crystallization and preliminary X-ray analysis of adenylylsulfate reductase from Archaeoglobus fulgidus

A. Roth, G. Fritz, T. Büchert, H. Huber, K. O. Stetter, U. Ermler and P. M. H. Kroneck

Synopsis: Adenylylsulfate reductase from A. fulgidus was purified and crystallized under anaerobic conditions. X-ray diffraction measurement revealed that the crystals diffract beyond 2.0 Å resolution.

Online December 2000


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Acta Cryst. (2000). D56, 1676-1679  [ doi:10.1107/S0907444900013378 ]

Overproduction, purification, crystallization and preliminary X-ray diffraction analysis of YopM, an essential virulence factor extruded by the plague bacterium Yersinia pestis

A. G. Evdokimov, D. E. Anderson, K. M. Routzahn and D. S. Waugh

Synopsis: Crystals of the Y. pestis virulence factor YopM have been obtained by the vapor-diffusion method. The best crystals diffract to 2.4 Å resolution and belong to space group P4222.

Online December 2000


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Acta Cryst. (2000). D56, 1680-1684  [ doi:10.1107/S0907444900013627 ]

Crystallization and preliminary characterization of crystals of human protein kinase CK2

K. Niefind, B. Guerra, I. Ermakowa and O.-G. Issinger

Synopsis: Tetrameric protein kinase CK2 holoenzyme from Homo sapiens was successfully crystallized for the first time. The crystals diffract X-rays to at least 3.5 Å resolution.

Online December 2000


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Acta Cryst. (2000). D56, 1685-1687  [ doi:10.1107/S0907444900015262 ]

Crystallization, preliminary X-ray analysis and molecular-replacement solution of the carboxy form of haemoglobin I from the fish Brycon cephalus

R. T. Honda, P. Delatorre, V. Fadel, F. Canduri, M. Dellamano, W. F. de Azevedo and G. O. Bonilla-Rodriguez

Synopsis: In this paper, the crystallization, preliminary X-ray analysis and molecular-replacement solution of the carboxy form of haemoglobin I from the fish B. cephalus are described.

Online December 2000


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Acta Cryst. (2000). D56, 1688-1690  [ doi:10.1107/S0907444900015298 ]

Crystallization and preliminary crystallographic investigation of glycosomal pyruvate phosphate dikinase from Trypanosoma brucei

L. W. Cosenza, F. Bringaud, T. Baltz and F. M. D. Vellieux

Synopsis: The glycosomal enzyme pyruvate phosphate dikinase from T. brucei has been crystallized in space group P21212. A 3.0 Å resolution native data set has been collected at 277 K using monochromatic synchrotron radiation.

Online December 2000


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Acta Cryst. (2000). D56, 1691-1693  [ doi:10.1107/S0907444900015304 ]

Crystals of GlpE, a 12 kDa sulfurtransferase from Escherichia coli, display 1.06 Å resolution diffraction: a preliminary report

D. Bordo, T. J. Larson, J. L. Donahue, A. Spallarossa and M. Bolognesi

Synopsis: GlpE is the first sulfurtransferase composed of a single rhodanese-like domain to be crystallized. Crystals belong to the P31 (or P32) space group, with one molecule per asymmetric unit.

Online December 2000


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Acta Cryst. (2000). D56, 1694-1695  [ doi:10.1107/S0907444900015316 ]

Crystallization and preliminary crystallographic study of b0220, an `ORFan' protein of unknown function from Escherichia coli

C. Abergel, V. Monchois, S. Chenivesse, S. Jeudy and J.-M. Claverie

Synopsis: The first E. coli ORFan gene product has been cloned, expressed, purified and crystallized. The MAD method using selenium has been used to solve the selenomethionine-substituted b0220 protein structure.

Online December 2000


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Acta Cryst. (2000). D56, 1696-1698  [ doi:10.1107/S0907444900011860 ]

Crystallization and preliminary characterization of crystals of R-alcohol dehydrogenase from Lactobacillus brevis

K. Niefind, B. Riebel, J. Müller, W. Hummel and D. Schomburg

Synopsis: The R-specific alcohol dehydrogenase from L. brevis was successfully crystallized. The crystals diffract X-rays to at least 1.8 Å resolution.

Online December 2000


short communications


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Acta Cryst. (2000). D56, 1699-1701  [ doi:10.1107/S0907444900013573 ]

Crystallization and preliminary X-ray analysis of two pH-dependent forms of cytochrome c2 from Rhodopseudomonas palustris

G. Garau, S. Geremia, L. Randaccio, L. Vaccari and M. S. Viezzoli

Synopsis: Cytochrome c2 from R. palustris has been crystallized in two different crystal forms: monoclinic at pH 4.4 and trigonal at pH 9.0. The preliminary structures show an important change to the iron coordination environment in the trigonal form obtained at basic pH owing to the substitution of the Met ligand by an ammonia molecule.

Online December 2000


addenda and errata


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Acta Cryst. (2000). D56, 1702  [ doi:10.1107/S090744490001739X ]

The atomic resolution structure of bucandin, a novel toxin isolated from the Malayan krait, determined by direct methods. Erratum

P. Kuhn, A. M. Deacon, D.-S. Comsa, G. Rajaseger, R. M. Kini, I. Usón and P. R. Kolatkar

Synopsis: An erratum to the paper by Kuhn et al. (2000) Acta Cryst. D56, 1401-1407.

Online December 2000


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