Biological Crystallography

 

Acta Cryst. (2006). D62, 1287-1293  [ doi:10.1107/S0907444906026746 ]

Structure of internalin C from Listeria monocytogenes

A. Ooi, S. Hussain, A. Seyedarabi and R. W. Pickersgill

Synopsis: The crystal structure of internalin C from L. monocytogenes is reported. The putative receptor-binding surface is flat and predominantly hydrophilic and the Ig-like domain has exposed aromatics that may be of functional importance.

PDB reference: 1xeu

Online 18 October 2006

 

Acta Cryst. (2006). D62, 1294-1299  [ doi:10.1107/S0907444906026849 ]

Structures of the hydrolase domain of human 10-formyltetrahydrofolate dehydrogenase and its complex with a substrate analogue

P. Kursula, H. Schüler, S. Flodin, P. Nilsson-Ehle, D. J. Ogg, P. Savitsky, P. Nordlund and P. Stenmark

Synopsis: The crystal structure of the hydrolase domain of human 10-formyltetrahydrofolate dehydrogenase, an important enzyme in the metabolism of one-carbon units, has been determined. The active site was further expored by solving the structure of a complex containing a substrate fragment.

PDB references: 2bw0 and 2cfi

Online 18 October 2006

 

Acta Cryst. (2006). D62, 1300-1310  [ doi:10.1107/S0907444906027636 ]

Crystal structures of two peptide-HLA-B*1501 complexes; structural characterization of the HLA-B62 supertype

G. Røder, T. Blicher, S. Justesen, B. Johannesen, O. Kristensen, J. Kastrup, S. Buus and M. Gajhede

Synopsis: Human MHC-I molecules are currently subdivided into twelve different supertypes, each presenting a distinct part of the sequence space of peptides for immune recognition. Here, the first structures of peptide-MHC complexes involving a member of the B62 HLA supertype are presented.

PDB references: 1xr8 and 1xr9

Online 18 October 2006

 

Acta Cryst. (2006). D62, 1311-1318  [ doi:10.1107/S0907444906027594 ]

MPCD: a new interactive on-line crystallization data bank for screening strategies

M. Charles, S. Veesler and F. Bonneté

Synopsis: A new crystallization database has been created, which can be analyzed to develop crystallization strategies.

Online 18 October 2006

 

Acta Cryst. (2006). D62, 1319-1324  [ doi:10.1107/S0907444906028198 ]

Structural basis for the carbohydrate-specificity of basic winged-bean lectin and its differential affinity for Gal and GalNAc

K. A. Kulkarni, S. Katiyar, A. Surolia, M. Vijayan and K. Suguna

Synopsis: The crystal structures of the complexes of basic winged-bean lectin with galactose, 2-methoxygalactose, N-acetylgalactosamine and methyl--N-acetylgalactosamine provide a structural rationale for the carbohydrate-specificity of the lectin and insights into the differential affinity exhibited by some plant lectins for galactose and N-acetylgalactosamine.

PDB references: 2du0, 2dtw, 2dty and 2du1

Online 18 October 2006

 

Acta Cryst. (2006). D62, 1325-1335  [ doi:10.1107/S090744490602899X ]

Introduction and validation of an invariom database for amino-acid, peptide and protein molecules

B. Dittrich, C. B. Hübschle, P. Luger and M. A. Spackman

Synopsis: A database of invarioms for structural refinement of amino-acid, oligopeptide and protein molecules is presented.

Online 18 October 2006

 

Acta Cryst. (2006). D62, 1336-1339  [ doi:10.1107/S0907444906026321 ]

Mail-in crystallography program at Brookhaven National Laboratory's National Synchrotron Light Source

H. Robinson, A. S. Soares, M. Becker, R. Sweet and A. Héroux

Synopsis: The mail-in crystallography program at the NSLS has been very successful for several years. With the advent of our new database (PXDB), the operation and the advantages brought to the PXRR group is now revisited from the users' point of view.

Online 18 October 2006

 

Acta Cryst. (2006). D62, 1340-1347  [ doi:10.1107/S0907444906030162 ]

Integrated software for macromolecular crystallography synchrotron beamlines II: revision, robots and a database

J. M. Skinner, M. Cowan, R. Buono, W. Nolan, H. Bosshard, H. H. Robinson, A. Héroux, A. S. Soares, D. K. Schneider and R. M. Sweet

Synopsis: This manuscript chronicles the evolution of software used originally to control a diffractometer at a macromolecular crystallography beamline.

Online 18 October 2006

 

Acta Cryst. (2006). D62, 1348-1357  [ doi:10.1107/S0907444906031234 ]

C3D: a program for the automated centring of cryocooled crystals

B. Lavault, R. B. G. Ravelli and F. Cipriani

Synopsis: C3D is a program for automated crystal centring with improved performance in crystal-centre detection using visible light.

Online 18 October 2006

 

Acta Cryst. (2006). D62, 1358-1368  [ doi:10.1107/S0907444906031672 ]

Automated detection and centring of cryocooled protein crystals

S. B. Pothineni, T. Strutz and V. S. Lamzin

Synopsis: Software for automated crystal centring on beamlines for macromolecular crystallography is described.

Online 18 October 2006

 

Acta Cryst. (2006). D62, 1369-1374  [ doi:10.1107/S0907444906031519 ]

Reindeer -lactoglobulin crystal structure with pseudo-body-centred noncrystallographic symmetry

E. Oksanen, V.-P. Jaakola, T. Tolonen, K. Valkonen, B. Åkerström, N. Kalkkinen, V. Virtanen and A. Goldman

Synopsis: The crystal structure of reindeer -lactoglobulin is reported. Structure solution and refinement were significantly complicated by almost perfect pseudo-body-centering.

PDB reference: 1yup

Online 18 October 2006

 

Acta Cryst. (2006). D62, 1375-1381  [ doi:10.1107/S0907444906032653 ]

Structural analysis of Bordetella pertussis BugE solute receptor in a bound conformation

I. Huvent, H. Belrhali, R. Antoine, C. Bompard, C. Locht, F. Jacob-Dubuisson and V. Villeret

Synopsis: The crystal structure of B. pertussis BugE solute receptor is reported at a resolution of 2.3 Å. BugE has a bound fortuitous ligand, identified as a glutamate. Ligand binding in the Bug family of proteins is discussed.

PDB reference: 2dvz

Online 18 October 2006

 

Acta Cryst. (2006). D62, 1382-1386  [ doi:10.1107/S0907444906034408 ]

Active-site changes in the pyruvate dehydrogenase multienzyme complex E1 apoenzyme component from Escherichia coli observed at 2.32 Å resolution

K. Chandrasekhar, P. Arjunan, M. Sax, N. Nemeria, F. Jordan and W. Furey

Synopsis: This first report of a homodimeric E1 apoenzyme structure shows no evidence for disorder-to-order loop transformations relative to the holoenzyme, in contrast to what has been observed in the heterotetrameric branched-chain-specific enzyme. In the active-site region, the histidine residue His142 clearly exhibits partial occupancy of two distinct rotamer sites in the apoenzyme and the number of ordered solvent molecules increases from apoenyme to holoenzyme to inhibitor complex.

PDB reference: 2g67

Online 18 October 2006

 

Acta Cryst. (2006). D62, 1387-1391  [ doi:10.1107/S0907444906034196 ]

The structure of Vibrio cholerae extracellular endonuclease I reveals the presence of a buried chloride ion

B. Altermark, A. O. Smalås, N. P. Willassen and R. Helland

Synopsis: Two crystal structures of endonuclease I from V. cholerae identify a chloride buried in the core of the enzyme. Magnesium, which is essential for catalysis, is bound to the enzyme at neutral pH but not at low pH.

PDB references: 2g7e and 2g7f

Online 18 October 2006

 

Acta Cryst. (2006). D62, 1392-1400  [ doi:10.1107/S0907444906035426 ]

Molecular complementarity between tetracycline and the GTPase active site of elongation factor Tu

S. E. Heffron, S. Mui, A. Aorora, K. Abel, E. Bergmann and F. Jurnak

Synopsis: Structures of tetracycline complexed with trypsin-modified EF-Tu are reported.

PDB references: 2hdn and 2hcj

Online 18 October 2006

 

Acta Cryst. (2006). D62, 1401-1406  [ doi:10.1107/S0907444906034019 ]

Improving amino-acid identification, fit and C prediction using the Simplex method in automated model building

T. D. Romo, J. C. Sacchettini and T. R. Ioerger

Synopsis: Incorporating a Nelder-Mead Simplex search into the side-chain identification and model-building routines of TEXTAL.

Online 18 October 2006

 

Acta Cryst. (2006). D62, 1407-1412  [ doi:10.1107/S0907444906036031 ]

Structure of the single-stranded DNA-binding protein SSB from Thermus aquaticus

R. Jedrzejczak, M. Dauter, Z. Dauter, M. Olszewski, A. Dlugolecka and J. Kur

Synopsis: The crystal structure of the single-stranded DNA-binding protein from T. aquaticus was solved and refined at 1.85 Å resolution.

PDB reference: 2fxq

Online 18 October 2006

 

Acta Cryst. (2006). D62, 1413-1421  [ doi:10.1107/S0907444906035712 ]

Structural studies on peanut lectin complexed with disaccharides involving different linkages: further insights into the structure and interactions of the lectin

S. K. Natchiar, O. Srinivas, N. Mitra, A. Surolia, N. Jayaraman and M. Vijayan

Synopsis: Crystal structures of the complexes of peanut lectin with Gal1-3Gal, methyl-T-antigen, Gal1-6GalNAc, Gal1-3Gal and Gal1-6Glc and that of a crystal obtained in the presence of Gal1-3Gal1-4Gal have been determined.

PDB references: 2dv9, 2dva, 2dvb, 2dvd, 2dvg and 2dvf

Online 18 October 2006

 

Acta Cryst. (2006). D62, 1422-1429  [ doi:10.1107/S0907444906036407 ]

X-ray crystallographic native sulfur SAD structure determination of laminarinase Lam16A from Phanerochaete chrysosporium

J. Vasur, R. Kawai, A. M. Larsson, K. Igarashi, M. Sandgren, M. Samejima and J. Ståhlberg

Synopsis: The structure of laminarinase Lam16A from the wood-degrading fungus P. chrysosporium was solved to 1.34 Å resolution. It is the first structure in the non-specific 1,3(4)--D-glucanase subfamily of glycoside hydrolase family GH16.

PDB reference: 2cl2

Online 18 October 2006

 

Acta Cryst. (2006). D62, 1430-1434  [ doi:10.1107/S0907444906036742 ]

Structure determination of VEGF-E by sulfur SAD

A. Wagner, M. Pieren, C. Schulze-Briese, K. Ballmer-Hofer and A. E. Prota

Synopsis: The crystal structure of VEGF-E has been solved by S-SAD using highly redundant data. To obtain the highest data accuracy, special care was taken in setting up the beam parameters for data collection.

PDB reference: 2gnn

Online 18 October 2006