The structure of the genomic Bacillus subtilis dUTPase: novel features in the Phe-lid

The structures of the B. subtilis genomic dUTPase and of its complex with the substrate analogue dUpNHpp and calcium are reported, both at 1.85 Å resolution. The Phe-lid, which folds over the ligand, lies in a novel position in the structure.

Atomic resolution studies of haloalkane dehalogenases DhaA04, DhaA14 and DhaA15 with engineered access tunnels

The structures of three DhaA mutants at atomic resolution are described in detail and compared in order to explore the effect of mutations on the enzymatic activity of modified proteins from a structural perspective.

Percentile-based spread: a more accurate way to compare crystallographic models

A new percentile-based measure of structural differences is proposed and is shown to have advantages over traditional root-mean-square distance.

Structures of the nucleotide-binding domain of the human ABCB6 transporter and its complexes with nucleotides

The crystal structures of the nucleotide-binding domain of human ABCB6 in the apo form and in complexes with ADP, with ATP and with ADP and Mg²⁺ were determined at 2 Å resolution.

Inclusion of weak high-resolution X-ray data for improvement of a group II intron structure

New insights into group II intron self-splicing mechanisms from an improved crystal structure of a group II intron complex with a product upon inclusion of weak high-resolution X-ray in structure determination.

Structural study and thermodynamic characterization of inhibitor binding to lumazine synthase from Bacillus anthracis

Crystallographic studies of lumazine synthase, the penultimate enzyme of the riboflavin-biosynthetic pathway in B. anthracis, provide a structural framework for the design of antibiotic inhibitors, together with calorimetric and kinetic investigations of inhibitor binding.

Performance of phased rotation, conformation and translation function: accurate protein model building with tripeptidic and tetrapeptidic fragments

Main-chain tripeptidic and tetrapeptidic molecular fragments are positioned in the electron density by a phased rotation, conformation and translation function at various resolutions. Accurate and nearly complete protein models can be built semi-automatically using the positioned fragments.

A smooth and differentiable bulk-solvent model for macromolecular diffraction

A new method for modeling the bulk solvent in macromolecular diffraction data based on Babinet's principle is presented. The proposed models offer the advantage of differentiability with respect to atomic coordinates.

High-speed crystal detection and characterization using a fast-readout detector

A grid-scan tool that enables rapid characterization of large sample volumes using a microfocused X-ray beam and a fast-readout detector is reported.

Molecular recognition between Escherichia coli enolase and ribonuclease E

The glycolytic enzyme enolase associates with the endoribonuclease RNase E in Escherichia coli and many other bacterial species. The crystal structure of the complex reveals the basis for the molecular recognition and provides clues as to the possible function of the interaction.

Is too `creative' language acceptable in crystallography?

A brief comment is made on the need to use carefully selected, novel terms in crystallographic publications, especially publications addressing non-specialists.