Biological Crystallography

Acta Cryst. (2008). D64, 1093-1109  [ doi:10.1107/S0907444908027388 ]

PURY: a database of geometric restraints of hetero compounds for refinement in complexes with macromolecular structures

M. Andrejasic, J. Praznikar and D. Turk

Synopsis: PURY is database of geometric restraints derived from the crystal structures of small molecules deposited in the Cambridge Structural Database. The derived parameters cover a vast portion of chemical space and are ready for use in macromolecular crystal structure determination.

Online 18 October 2008

Acta Cryst. (2008). D64, 1110-1115  [ doi:10.1107/S090744490802790X ]

Structure of the nucleotide-binding subunit B of the energy producer A₁A₀ ATP synthase in complex with adenosine diphosphate

A. Kumar, M. S. S. Manimekalai and G. Grüber

Synopsis: The ADP complex structure of the subunit B has helped in the understanding of the entry mode of the substrate in the A-ATP synthase and also the inhibitory mechanism of action of the antibiotic efrapeptin C.

PDB reference: 3dsr

Online 18 October 2008

Acta Cryst. (2008). D64, 1116-1122  [ doi:10.1107/S0907444908028060 ]

The plug-based nanovolume Microcapillary Protein Crystallization System (MPCS)

C. J. Gerdts, M. Elliott, S. Lovell, M. B. Mixon, A. J. Napuli, B. L. Staker, P. Nollert and L. Stewart

Synopsis: The Microcapillary Protein Crystallization System (MPCS) is a new protein-crystallization technology used to generate nanolitre-sized crystallization experiments for crystal screening and optimization. Using the MPCS, diffraction-ready crystals were grown in the plastic MPCS CrystalCard and were used to solve the structure of methionine-R-sulfoxide reductase.

PDB reference: 3cxk

Online 18 October 2008

Acta Cryst. (2008). D64, 1123-1130  [ doi:10.1107/S0907444908028047 ]

Establishing a training set through the visual analysis of crystallization trials. Part I: 150 000 images

E. H. Snell, J. R. Luft, S. A. Potter, A. M. Lauricella, S. M. Gulde, M. G. Malkowski, M. Koszelak-Rosenblum, M. I. Said, J. L. Smith, C. K. Veatch, R. J. Collins, G. Franks, M. Thayer, C. Cumbaa, I. Jurisica and G. T. DeTitta

Synopsis: As part of a training set for automated image analysis, 150 000 images of crystallization experiments from 96 diverse macromolecules have been visually classified within seven categories. Outcomes and trends are analyzed.

Online 18 October 2008

Acta Cryst. (2008). D64, 1131-1137  [ doi:10.1107/S0907444908028059 ]

Establishing a training set through the visual analysis of crystallization trials. Part II: crystal examples

E. H. Snell, A. M. Lauricella, S. A. Potter, J. R. Luft, S. M. Gulde, R. J. Collins, G. Franks, M. G. Malkowski, C. Cumbaa, I. Jurisica and G. T. DeTitta

Synopsis: As part of a training set for automated image analysis, crystallization screening experiments for 269 different macromolecules were visually analyzed and a set of crystal images extracted. Outcomes and trends are analyzed.

Online 18 October 2008

Acta Cryst. (2008). D64, 1138-1145  [ doi:10.1107/S0907444908028308 ]

Structure of the F-spondin reeler domain reveals a unique -sandwich fold with a deformable disulfide-bonded loop

M. Nagae, K. Nishikawa, N. Yasui, M. Yamasaki, T. Nogi and J. Takagi

Synopsis: Crystal structures have been determined for two segments of the human F-spondin reeler domain at 1.45 and 2.70 Å resolution. The results provide insight into the structural plasticity of this domain.

PDB references: 2zot and 2zou

Online 18 October 2008

Acta Cryst. (2008). D64, 1146-1157  [ doi:10.1107/S0907444908028448 ]

Functionally important movements in RecA molecules and filaments: studies involving mutation and environmental changes

J. R. Prabu, G. P. Manjunath, N. R. Chandra, K. Muniyappa and M. Vijayan

Synopsis: The structures of 19 crystals of mutants and nucleotide complexes of M. smegmatis RecA prepared under different conditions reported here, along with 11 previously reported structures, provide insights into the trajectory of allosteric transformations important in RecA function.

PDB references: 2zr7, 2zrp, 2zrn, 2zro, 2zrm, 2zrh, 2zri, 2zrj, 2zrk, 2zrl, 2zrc, 2zrd, 2zre, 2zrf, 2zrg, 2zrb, 2zr0, 2zra and 2zr9

Online 18 October 2008

Acta Cryst. (2008). D64, 1158-1164  [ doi:10.1107/S0907444908028928 ]

Equations for determining tetartohedral twin fractions

T. O. Yeates and F. Yu

Synopsis: Equations are developed for determining the twin fractions from observed X-ray diffraction intensities in the case of tetartohedral twinning (i.e. where there are four differently oriented twin domains and each observed intensity contains contributions from four crystallographically independent reflections).

Online 18 October 2008

Acta Cryst. (2008). D64, 1165-1171  [ doi:10.1107/S0907444908030400 ]

Structure of Locusta migratoria protease inhibitor 3 (LMPI-3) in complex with Fusarium oxysporum trypsin

P. Leone, A. Roussel and C. Kellenberger

Synopsis: The crystal structure of the complex between LMPI-3 and F. oxysporum trypsin has been determined at 1.8 Å resolution. This study indicates that this small inhibitor interacts with the protease through the reactive site P3-P4' and the P10-P6 residues.

PDB reference: 2vu8

Online 18 October 2008

Acta Cryst. (2008). D64, 1172-1178  [ doi:10.1107/S0907444908030175 ]

Structure determination of the cancer-associated Mycoplasma hyorhinis protein Mh-p37

K. H. Sippel, A. H. Robbins, R. Reutzel, J. Domsic, S. K. Boehlein, L. Govindasamy, M. Agbandje-McKenna, C. J. Rosser and R. McKenna

Synopsis: The structure of the cancer-associated M. hyorhinis protein Mh-p37 has been determined to 1.9 Å resolution using a novel heavy-atom reagent, 5-amino-2,4,6-triiodoisophthalic acid, and SIRAS methods.

PDB references: 3e78 and 3e79

Online 18 October 2008

Acta Cryst. (2008). D64, 1179-1182  [ doi:10.1107/S0907444908030266 ]

A magic triangle for experimental phasing of macromolecules

T. Beck, A. Krasauskas, T. Gruene and G. M. Sheldrick

Synopsis: 5-Amino-2,4,6-triiodoisophthalic acid is used as a phasing tool for protein structure determination. It is a representative of a novel class of compound for heavy-atom derivatization that combines heavy atoms with functional groups for binding to proteins.

PDB references: 3e3d, 3e3s and 3e3t

Online 18 October 2008

Acta Cryst. (2008). D64, 1183-1186  [ doi:10.1107/S090744490802948X ]

Affinity tags can reduce merohedral twinning of membrane protein crystals

A. Backmark, M. Nyblom, S. Törnroth-Horsefield, U. Kosinska-Eriksson, K. Nordén, M. Fellert, P. Kjellbom, U. Johanson, K. Hedfalk, K. Lindkvist-Petersson, R. Neutze and R. Horsefield

Synopsis: This work presents a comparison of the crystal packing of three eukaryotic membrane proteins: human aquaporin 1, human aquaporin 5 and a spinach plasma membrane aquaporin. All were purified from expression constructs both with and without affinity tags.

Online 18 October 2008