Acta Cryst. (2007). D63, 1115-1128
[ doi:10.1107/S0907444907044472 ]

Use of a `caged' analogue to study the traffic of choline within acetylcholinesterase by kinetic crystallography

J.-P. Colletier, A. Royant, A. Specht, B. Sanson, F. Nachon, P. Masson, G. Zaccai, J. L. Sussman, M. Goeldner, I. Silman, D. Bourgeois and M. Weik

Synopsis: A kinetic crystallography strategy aimed at structurally addressing the issue of product traffic in acetylcholinesterase is presented in which UV-laser-induced cleavage of a photolabile precursor of the enzymatic product analogue arsenocholine, `caged' arsenocholine, is performed in a temperature-controlled X-ray crystallography regime.

PDB references: 2v96, 2v97, 2v98 and 2va9

Online 17 October 2007

 

Acta Cryst. (2007). D63, 1129-1138
[ doi:10.1107/S0907444907044411 ]

Estimates of the twinning fraction for macromolecular crystals using statistical models accounting for experimental errors

V. Y. Lunin, N. L. Lunina and M. W. Baumstark

Synopsis: A statistical model that takes experimental errors into account allows improved estimates of the twinning fraction in merohedrally (or pseudo-merohedrally) twinned macromolecular crystals.

Online 17 October 2007

 

Acta Cryst. (2007). D63, 1139-1153
[ doi:10.1107/S0907444907045040 ]

Changes to crystals of Escherichia coli [beta]-galactosidase during room-temperature/low-temperature cycling and their relation to cryo-annealing

D. H. Juers, J. Lovelace, H. D. Bellamy, E. H. Snell, B. W. Matthews and G. E. O. Borgstahl

Synopsis: X-ray diffraction reflection profiles from crystals of E. coli [beta]-galactosidase that were repeatedly cycled between 100K and room temperature were measured at both temperatures. Domain analysis showed cooling-induced crystal damage that recovered to a large degree with warming, although there were irreversible effects, primarily from radiation exposure.

Online 17 October 2007

 

Acta Cryst. (2007). D63, 1154-1161
[ doi:10.1107/S0907444907045271 ]

tRNA^[Ser] acceptor stem: conformation and hydration of a microhelix in a crystal structure at 1.8A resolution

C. Forster, A. B. E. Brauer, S. Brode, J. P. Furste, C. Betzel and V. A. Erdmann

Synopsis: The crystal structure of a serine-specific tRNA acceptor-stem microhelix, the binding site for the seryl-tRNA synthetase, was solved by X-ray analysis.

PDB reference: 2v6w

Online 17 October 2007

 

Acta Cryst. (2007). D63, 1162-1168
[ doi:10.1107/S0907444907045921 ]

Conformation families of protein fragments in multidimensional torsion-angle space

F. Pavelcik and P. Pavelcikova

Synopsis: Conformation families were determined for dipeptidic, tripeptidic, tetrapeptidic and pentapeptidic fragments. Statistical weights were calculated for the conformation families.

Online 17 October 2007

 

Acta Cryst. (2007). D63, 1169-1177
[ doi:10.1107/S0907444907047452 ]

Structure and activity of Yersinia pestis 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase as a novel target for the development of antiplague therapeutics

J. Blaszczyk, Y. Li, S. Cherry, J. Alexandratos, Y. Wu, G. Shaw, J. E. Tropea, D. S. Waugh, H. Yan and X. Ji

Synopsis: Y. pestis 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase (HPPK) has been characterized both structurally and biochemically.

PDB reference: 2qx0

Online 17 October 2007

 

Acta Cryst. (2007). D63, 1178-1184
[ doi:10.1107/S0907444907047646 ]

Neutron and X-ray structural studies of short hydrogen bonds in photoactive yellow protein (PYP)

S. Z. Fisher, S. Anderson, R. Henning, K. Moffat, P. Langan, P. Thiyagarajan and A. J. Schultz

Synopsis: The complete structure (including H atoms) of photoactive yellow protein has been determined in D_[2]O-soaked crystals through the application of joint X-ray (1.1A) and neutron (2.5A) structure refinement in combination with cross-validated maximum-likelihood simulated annealing.

PDB reference: 2qws

Online 17 October 2007

 

Acta Cryst. (2007). D63, 1185-1193
[ doi:10.1107/S0907444907048299 ]

Structures of OppA and PstS from Yersinia pestis indicate variability of interactions with transmembrane domains

M. Tanabe, O. Mirza, T. Bertrand, H. S. Atkins, R. W. Titball, S. Iwata, K. A. Brown and B. Byrne

Synopsis: This manuscript describes the first structures of ABC transport-system components from the pathogenic bacterium Y. pestis. These structures have allowed a comparison of the interactions between periplasmic binding proteins and their cognate transmembrane domains.

PDB references: 2z22 and 2z23

Online 17 October 2007

 

Acta Cryst. (2007). D63, 1194-1197
[ doi:10.1107/S0907444907046148 ]

On macromolecular refinement at subatomic resolution with interatomic scatterers

P. V. Afonine, R. W. Grosse-Kunstleve, P. D. Adams, V. Y. Lunin and A. Urzhumtsev

Synopsis: Modelling deformation electron density using interatomic scatters is simpler than multipolar methods, produces comparable results at subatomic resolution and can easily be applied to macromolecules.

Online 17 October 2007

 

Acta Cryst. (2007). D63, 1198-1200
[ doi:10.1107/S0907444907045702 ]

Interaction between the androgen receptor and a segment of its corepressor SHP

N. Jouravel, E. Sablin, L. A. Arnold, R. K. Guy and R. J. Fletterick

Synopsis: A crystal structure of SHP-corepressor-derived LxxLL-like motif with androgen receptor (AR) ligand binding domain reveals the details of SHP-AR interaction.

PDB reference: 2z4j

Online 17 October 2007