Impact of low-frequency hotspot mutation R282Q on the structure of p53 DNA-binding domain as revealed by crystallography at 1.54 Å resolution

The impact of hotspot mutation R282Q on the structure of human p53 DNA-binding domain has been characterized by X-ray crystallography and molecular-dynamics simulations.

Ultralow-resolution ab initio phasing of filamentous proteins: crystals from a six-Ig fragment of titin as a case study

Low-resolution ab initio phased images of a six-Ig fragment from titin and their a posteriori comparison with the independently elucidated atomic model address the particular challenges that filamentous proteins pose to the low-resolution phasing method­ology.

Use of complementary cation and anion heavy-atom salt derivatives to solve the structure of cytochrome P450 46A1

Crystallization and analysis of the MIRAS heavy-atom structure solution of human cytochrome P450 46A1 using NaI and CsCl quick soaks.

The structures of Alcaligenes faecalis D-3-hydroxybutyrate de­hydrogenase before and after NAD⁺ and acetate binding suggest a dynamical reaction mechanism as a member of the SDR family

The crystal structures of D-3-hydroxybutyrate dehydrogenase from A. faecalis and of its complex with NAD⁺ and acetate suggest the mechanisms of substrate recognition and catalytic reaction. A structural comparison with other enzymes of the short-chain dehydrogenase/reductase family suggests that functional versatility has developed from a common ancestor protein.

Optimization of buffer solutions for protein crystallization

Increasing the solubility of proteins through buffer optimization and addition of glycerol to values above that found in a standard chromatography buffer led to a statistically significant improvement in crystallization screening results. Estimation of solubility in buffer provides a means for selection of an initial protein concentration for successful screening.

Iterative-build OMIT maps: map improvement by iterative model building and refinement without model bias

An OMIT procedure is presented that has the benefits of iterative model building density modification and refinement yet is essentially unbiased by the atomic model that is built.

A vault ribonucleoprotein particle exhibiting 39-fold dihedral symmetry

A vault from rat liver was crystallized in space group C2. Rotational symmetry searches indicated that the particle has 39-fold dihedral symmetry.

Structure of monkey dimeric di­hydrodiol de­hydrogenase in complex with isoascorbic acid

The crystal structure of monkey dimeric dihydrodiol dehydrogenase complexed with the inhibitor isoascorbic acid has been determined at 2.59 Å resolution.

Structure of a rabbit muscle fructose-1,6-bis­phosphate aldolase A dimer variant

The X-ray crystallographic structure of a dimer variant of fructose-1,6-bisphosphate aldolase demonstrates a stable oligomer that mirrors half of the native tetramer. The presence of product demonstrates that this is an active form.

Unique features of the structure and interactions of mycobacterial uracil-DNA glycosylase: structure of a complex of the Mycobacterium tuberculosis enzyme in comparison with those from other sources

Uracil-DNA glycosylase from M. tuberculosis exhibits differences from the enzymes from other sources, particularly in the catalytic loops and the N- and C-terminal regions. The central region of the molecule is relatively invariant in sequence and structure among proteins from different organisms.

A new rotation function for molecular replacement by using both the self and cross Patterson vectors

A new rotation function has been designed for the molecular-replacement method in real space in which both the self and cross Patterson vectors are matched. This rotation function is shown to be sufficiently sensitive to detect a two-helix fragment in a myoglobin crystal structure.

Charge-density analysis of a protein structure at subatomic resolution: the human aldose reductase case

A constrained refinement of the valence electron density against ultrahigh-resolution synchrotron X-ray diffraction data was performed using a multipolar atom model for the protein main-chain and side-chain atoms.

Structures of the human ceramide activator protein saposin D

Structures of human saposin D are presented in two crystal forms at 1.3 and 2.0 Å. The protein adopts the compact monomeric saposin fold as seen in saposins A and C.

MAD phasing using the (Ta₆Br₁₂)²⁺ cluster: a retrospective study

The first case of authentic structure determination by MAD phasing using high-resolution data from a (Ta₆Br₁₂)²⁺ derivative is analyzed to provide practical hints for the application of this useful phasing agent.

Structure of isochorismate synthase in complex with magnesium

The structure of the menaquinone-specific isochorismate synthase (MenF) from Escherichia coli has been refined at a resolution of 2.0 Å in complex with magnesium. The magnesium-bound structure has a well defined and organized active site which better represents the active conformation of the enzyme than the currently available structure.