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

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.

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

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

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

X-ray diffraction reflection profiles from crystals of E. coli β-galactosidase that were repeatedly cycled between 100 K 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.

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

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.

Conformation families of protein fragments in multidimensional torsion-angle space

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

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

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

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

The complete structure (including H atoms) of photoactive yellow protein has been determined in D₂O-soaked crystals through the application of joint X-ray (1.1 Å) and neutron (2.5 Å) structure refinement in combination with cross-validated maximum-likelihood simulated annealing.

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

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.

On macromolecular refinement at subatomic resolution with interatomic scatterers

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.

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

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