The crystallographic structure of the aldose reductase–IDD552 complex shows direct proton donation from tyrosine 48

The aldose reductase–IDD552 complex confirms the possibility of direct proton donation from the active-site residue Tyr48.

PRODRG: a tool for high-throughput crystallography of protein–ligand complexes

The small-molecule topology generator PRODRG is described, which takes input from existing coordinates or various two-dimensional formats and automatically generates coordinates and molecular topologies suitable for X-ray refinement of protein–ligand complexes.

A neutron crystallographic analysis of a rubredoxin mutant at 1.6 Å resolution

A single-crystal neutron diffraction study has been carried out at 1.6 Å resolution on a mutant rubredoxin from the hyperthermophilic archeon P. furiosus.

The three-dimensional structure of catalase from Enterococcus faecalis

The structure of E. faecalis haem catalase was determined by molecular replacement and refined to 2.3 Å resolution using synchrotron data.

Structures of the hyperthermophilic chromosomal protein Sac7d in complex with DNA decamers

The crystal structures of two Sac7d–DNA decamer complexes were determined in two different unit cells. The DNA decamers are more bent than the octamer, and they form triple base pairs in the lattice contact regions.

The role of substrate-binding groups in the mechanism of aspartate-β-semi­aldehyde de­hydrogenase

Structures of active-site mutants have definitively established the identity and roles of the substrate-binding groups in aspartate-β-semialdehyde dehydrogenase.

Structure, crystal packing and molecular dynamics of the calponin-homology domain of Schizosaccharomyces pombe Rng2

The structure of the CH domain of Rng2 is described at 2.21 Å resolution. Two features that are new to CH domains are revealed: a carboxyl-terminal tail that wraps around the putative actin-binding site ABS1 and ABS2 from dystrophin, and two loop conformations between Tyr92 and Arg99. This may have useful implications in determining the actin-binding orientation from single CH domains.

Two orthorhombic crystal structures of a galactose-specific lectin from Artocarpus hirsuta in complex with methyl-α-D-galactose

Two crystal structures of a jacalin-related lectin from A. hirsuta, which is specific for galactose, in complex with methyl-α-D-galactose are reported. The lectin crystallized in two orthorhombic forms and one hexagonal form under similar conditions. The structure was solved using the molecular-replacement method using the jacalin structure as a search model and the two orthorhombic forms were refined using data to 2.5 and 3.0 Å resolution, respectively.

Spectacular improvement of X-ray diffraction through fast desiccation of protein crystals

A simple and fast desiccation procedure was successfully applied to three cases of poorly diffracting protein crystals leading to a dramatic improvement in their diffraction. This could become a last-resort protocol to be systematically applied to non-diffracting crystals.

Calf spleen purine-nucleoside phosphorylase: crystal structure of the binary complex with a potent multisubstrate analogue inhibitor

Crystal structure of binary complex of calf spleen purine-nucleoside phosphorylase with a potent multisubstrate analogue inhibitor 9-(5,5-difluoro-5-phosphonopentyl)guanine has been refined to 2.2 Å resolution. The present structure may be used in the rational, structure-based design of new PNP inhibitors with potential medical applications.

The production and purification of the human T-cell receptors, the CD3∊γ and CD3∊δ heterodimers: complex formation and crystallization with OKT3, a therapeutic monoclonal antibody

This report details the production, purification, crystallization and preliminary diffraction analysis of CD3∊γ and CD3∊δ complexed with OKT3.

Expression, crystallization and crystallographic analysis of DegS, a stress sensor of the bacterial periplasm

The membrane-bound DegS protease from E. coli has been crystallized in a free and a substrate-bound form. The structure has been solved by molecular replacement and the solution was verified by radiation-induced phasing (RIP).

Facile crystallization of Escherichia coli ketol-acid reductoisomerase

E. coli ketol-acid reductoisomerase has been crystallized under a wide range of conditions and in several crystal forms. Most of the crystals diffract poorly but we have collected several data sets at better than 3.2 Å resolution.

Expression, purification, crystallization and preliminary X-ray diffraction data of methylmalonate-semi­aldehyde de­hydrogenase from Bacillus subtilis

Methylmalonate-semialdehyde dehydrogenase which is a singular member of the aldehyde dehydrogenase family was overexpressed and crystallized. Crystals diffract to 2.5 Å and belong to the orthorhombic space group P2₁2₁2₁.

Crystallization and X-ray diffraction of a halogenating enzyme, tryptophan 7-halogenase, from Pseudomonas fluorescens

Crystallization of PrnA (tryptophan 7-halogenase), an enzyme that regioselectively chlorinates tryptophan, cocrystallized with tryptophan and FAD is reported.

Crystallization and preliminary crystallographic studies of the mitochondrial F₁-ATPase from the yeast Saccharomyces cerevisiae

Crystallization of the yeast S. cerevisiae mitochondrial F₁-ATPase with improvements leading to diffraction from 3.3 to 2.8 Å.

Crystallization and preliminary X-ray analysis of carboxypeptidase 1 from Thermus thermophilus

The crystallization and preliminary X-ray analysis of carboxypeptidase 1 from T. thermophilus have been conducted.

Crystallization and preliminary X-ray crystallographic study of UDP-glucose pyro­phosphorylase (UGPase) from Helicobacter pylori

UDP-glucose pyrophosphorylase from H. pylori has been overexpressed, purified and crystallized. The crystals were analyzed by X-ray crystallography to a resolution of 2.9 Å.

Purification, crystallization and preliminary crystallographic analysis of the glycine-cleavage system component T-protein from Pyrococcus horikoshii OT3

The glycine-cleavage system component T-protein from P. horikoshii OT3 was overexpressed and purified. Orthorhombic crystals were obtained and native data were collected to 1.5 Å resolution using synchrotron radiation.

Crystallization and initial X-ray analysis of phenoxazinone synthase from Streptomyces antibioticus

Phenoxazinone synthase was crystallized using the sitting-drop vapour-diffusion method. Crystals were formed under two separate conditions, with crystals from each condition assigned to a different space group. Diffraction data from the two different crystals forms were measured to resolution limits of 3.35 and 2.30 Å and processed in space groups R32 and P1, respectively.

Crystallization and preliminary analysis of active nitroalkane oxidase in three crystal forms

The active oxidized form of nitroalkane oxidase, an FAD-dependent enzyme isolated from Fusarium oxysporum, has been crystallized in three space groups. A multiwavelength data set from Se-Met enriched enzyme is suitable for determining the structure.

Crystallization and preliminary crystallographic analysis of a thermostable family 52 β-D-xylosidase from Geobacillus stearothermophilus T-6

This study describes the first crystallization and preliminary X-ray analysis of a family 52 glycoside hydrolase, the β-D-xylosidase from G. stearothermophilus T-6. Purified native enzyme was crystallized and belongs to space group P1. The native crystal diffracted X-rays to a resolution of 2.0 Å.

Crystallization and preliminary X-ray crystallographic studies on a Kunitz-type potato serine protease inhibitor

A dimeric double-headed Kunitz-type potato serine protease inhibitor isolated from potato tubers was crystallized. Preliminary X-ray data were collected to 1.8 Å. The crystals are monoclinic, space group P2₁, with unit-cell parameters a = 54.82, b = 93.92, c = 55.44 Å, β = 100.7°.

Crystallization and preliminary X-ray analysis of the outer membrane pyoverdine receptor FpvA from Pseudomonas aeruginosa

The crystallization and X-ray data analysis of crystals of the outer membrane pyoverdine receptor FpvA from P. aeruginosa are described. Crystals of the in vivo FpvA–pyoverdine complex and the selenomethionine-labelled protein were obtained in the presence of C₈E₅ detergent. Both crystal forms belong to space group C2.

Preparation and preliminary X-ray analysis of the catalytic module of β-1,3-xylanase from the marine bacterium Vibrio sp. AX-4

The catalytic module of β-1,3-xylanase from Vibrio sp. AX-4 has been crystallized and X-ray diffraction data have been collected to 1.44 Å.

Complex assembly, crystallization and preliminary X-ray crystallographic studies of MHC H-2K^d complexed with an HBV-core nonapeptide

Crystals of MHC H-2K^d complexed with an HBV immunodominant nonapeptide were produced that diffracted X-rays to 2.06 Å.

Crystallization and preliminary crystallographic analysis of endonuclease VIII in its uncomplexed form

The DNA-repair enzyme endonuclease VIII (Nei) from E. coli has been crystallized in its DNA-free form. The new I222 crystals enabled a full X-ray diffraction data measurement for wild-type Nei at 2.6 Å resolution, for the Nei-E2A mutant at 2.25 Å resolution and for the Nei-R252A mutant at 2.05 Å resolution.

Crystallization and preliminary X-ray diffraction analysis of phosphoglucose/phosphomannose isomerase from Pyrobaculum aerophilum

Crystals of an enzyme from the crenarchaeon P. aerophilum that catalyzes both phosphoglucose isomerase and phosphomannose isomerase activities have been obtained. They belong to space group P2₁ and diffract to at least 1.6 Å resolution.

Crystallization and preliminary X-ray diffraction study of the catalytic subunit of archaeal H⁺-transporting ATP synthase from Pyrococcus horikoshii OT3

Archaeal ATP synthase catalytic subunit A from P. horikoshii OT3 was overexpressed, purified and crystallized. X-ray diffraction data were collected to 2.55 Å resolution.

Crystallization and preliminary X-ray diffraction studies of the hyperthermophilic archaeal sulredoxin having the unique Rieske [2Fe–2S] cluster environment

A novel hyperthermophilic archaeal Rieske protein, sulredoxin from S. tokodaii, has been overproduced, purified and crystallized in the oxidized conformation. The cubic crystals diffract to beyond 2.0 Å resolution using synchrotron radiation.

Crystallization and preliminary X-ray study of alkaline mannanase from an alkaliphilic Bacillus isolate

An alkaline mannanase from a Bacillus sp. was crystallized and the crystals diffracted to 1.65 Å using synchrotron radiation. Phasing was successfully carried out using the molecular-replacement method.

Crystallization and preliminary X-ray diffraction analysis of the lectin from Canavalia gladiata seeds

The seed lectin of C. gladiata was crystallized in orthorhombic space group C222₁. X-ray data were collected at 2.3 Å resolution.

Crystallization of the major cytosolic gluta­thione S-transferase from Onchocerca volvulus

Glutathione S-transferase from the pathogenic human filarial parasite O. volvulus has been crystallized, allowing its X-ray structure determination.

Crystallization and preliminary crystallographic analysis of monode­hydroascorbate radical reductase from cucumber

Monodehydroascorbate (MDA) radical reductase from cucumber has been crystallized and X-ray diffraction data have been collected to 2.4 Å.

Purification, crystallization and preliminary X-ray diffraction study of a recombinant cytokinin oxidase from Zea mays

A 1.95 Å resolution data set was collected from a crystal of a recombinant Z. mays cytokinin oxidase (ZmCKO1). This enzyme degrades cytokinins, hormones that are involved in plant growth and development.

C3 exoenzyme from Clostridium botulinum: structure of a tetragonal crystal form and a reassessment of NAD-induced flexure

The structure of a tetragonal crystal form of C. botulinum C3 exoenzyme has been determined. NAD-induced main-chain flexure is concentrated in two lobes peripheral to a rigid β-stranded core.

Heavy-atom derivatives in lipidic cubic phases: results on hen egg-white lysozyme tetragonal derivative crystals with Gd-HPDO3A complex

Excellent gadolinium-derivative crystals of hen egg-white lysozyme were obtained by co-crystallizing the protein with 100 mM Gd-HPDO3A using the lipidic cubic phase method known to be effective for crystallizing membrane proteins.