Beyond the detergent effect: a binding site for sodium do­decyl sulfate (SDS) in mammalian apoferritin

Using X-ray crystallography and isothermal titration calorimetry, we show that sodium dodecyl sulfate (SDS) binds specifically to a pre-formed internal cavity in horse-spleen apoferritin.

X-ray-excited optical luminescence of protein crystals: a new tool for studying radiation damage during diffraction data collection

Macromolecular crystals luminesce during X-ray irradiation. This luminescence, and how it changes as a function of absorbed dose, has been characterized for several different proteins.

Peptide inhibitors of botulinum neurotoxin serotype A: design, inhibition, cocrystal structures, structure–activity relationship and pharmacophore modeling

Botulinum neurotoxins have been declared as a Category A agent by the Centers of Disease Control and Prevention owing to their extremely poisonous nature and are potential bioweapon and bioterrorism agents. Towards the discovery of antidotes, structures of inhibitory peptide–enzyme complexes were determined, the structure–activity relationship was determined and a pharmacophore was developed.

S-SAD phasing study of death receptor 6 and its solution conformation revealed by SAXS

A comparative analysis of sulfur phasing of death receptor 6 (DR6) using data collected at wavelengths of 2.0 and 2.7 Å is presented. SAXS analysis of unliganded DR6 defines a dimer as the minimum physical unit in solution.

Novel β-structure of YLR301w from Saccharomyces cerevisiae

The structure of the uncharacterized protein YLR301w is reported.

An analysis of subdomain orientation, conformational change and disorder in relation to crystal packing of aspartic proteinases

A number of native and inhibitor-complexed aspartic proteinase crystal structures are reported. Analysis of the structure of native endothiapepsin in the same crystal form as that adopted by the majority of inhibitor complexes of this enzyme reveals that the rigid-body movement previously attributed to inhibitor binding may instead be at least partly a consequence of crystal packing involving sulfate anions.

Structure of phosphoserine aminotransferase from Mycobacterium tuberculosis

The crystal structure of phosphoserine aminotransferase, an essential enzyme for serine biosynthesis in M. tuberculosis, has been solved at 1.5 Å resolution. The structure reveals differences in the substrate-binding region when compared with the equivalent human enzyme, suggesting opportunities for structure-based drug design.

Structural changes caused by radiation-induced reduction and radiolysis: the effect of X-ray absorbed dose in a fungal multicopper oxidase

Radiation-induced reduction, radiolysis of copper sites and the effect of pH value together with the concomitant geometrical distortions of the active centres were analysed in several fungal (C. gallica) laccase structures collected at cryotemperature. This study emphasizes the importance of careful interpretation when the crystallographic structure of a metalloprotein is described.

Ribosome engineering to promote new crystal forms

Truncation of ribosomal protein L9 in T. thermophilus allows the generation of new crystal forms and the crystallization of ribosome–GTPase complexes.

Sensitivity of lysozyme crystallization to minute variations in concentration

The effect of minute variations in the concentration of the protein solution on the crystallization success rate of lysozyme was investigated and it was found that a very small variation in protein concentration of as low as 0.13% (0.026 mg ml⁻¹ in the current study) could exert a significant effect on the crystallization of lysozyme.

In situ macromolecular crystallography using microbeams

A sample environment for mounting crystallization trays has been developed on the microfocus beamline I24 at Diamond Light Source. The technical developments and several case studies are described.

Structural studies of the effect that di­methyl sulfoxide (DMSO) has on cisplatin and carboplatin binding to histidine in a protein

The anticancer complexes cisplatin and carboplatin target the DNA major groove, but have toxic side effects. It is shown that in the presence of DMSO two molecules of either cisplatin or carboplatin bind to its His15 residue. The observation of this effect with DMSO, a widely used super-solvent for drug delivery, should be considered in toxicity assessments of these drugs.

Notes of a protein crystallographer: on the high-resolution structure of the PDB growth rate

A detailed analysis of the growth rate of the PDB is presented that suggests appreciable changes in the deposition rates for certain periods, possibly related to technical innovations or to sociological events in the development of the field of macromolecular crystallography.