A General Phasing Algorithm for Multiple MAD and MIR Data

A phasing algorithm is presented for combining multiple wavelength anomalous dispersion (MAD) data from multiple types of anomalous scatterers, either in the same or in different derivative crystals, as well as for combining MAD data with multiple isomorphous replacement data from different derivative crystals.

Structure of Balhimycin and its Complex with Solvent Molecules

Balhimycin, a glycopeptide antibiotic related to vancomycin, crystallizes with two independent antibiotic dimers and a variety of solvent molecules in a unit cell similar in size to that of a small protein. In each dimer, one binding pocket is occupied by a citrate ion and the other by an acetate.

Data Compression for Diffraction Patterns

This paper presents an overview of coding and lossy compression techniques applied to diffraction patterns. Time-frequency analysis, and more specifically wavelet based transform, are proved to induce very low distortion on diffraction peaks for compression rates up to 10.

Stationary Crystal Diffraction with a Monochromatic Convergent X-ray Source and Application for Macromolecular Crystal Data Collection

Diffraction geometry of stationary crystals illuminated by a convergent X-ray source from a polycapillary optic, and its application in macromolecular crystal data collection.

Low-Resolution Structural Characterization of the Arginine Repressor/Activator from Bacillus subtilis: a Combined X-ray Crystallographic and Electron Microscopical Approach

Combination of X-ray amplitudes with phases derived from electron microscopy of thin three-dimensional crystals, allowed the determination of a preliminary low-resolution model of the arginine repressor/activator.

Effects of Microheterogeneity in Hen Egg-White Lysozyme Crystallization

Size and charge microheterogeneities, present in most lysozyme preparations as a result of oxidation, strongly affect crystallization.

Application of Known Triplet Phases in the Crystallographic Study of Bovine Pancreatic Trypsin Inhibitor. II: Study at 2.0 Å Resolution

A re-determination of this protein structure was carried out using direct methods based on 130 known triplets. Information on triplet phases and on partial structure was combined and used extensively in several cycles of phase refinement and expansion following the initial E map to accomplish a structure solution with data at 2.0 Å resolution.

Error Estimates of Protein Structure Coordinates and Deviations from Standard Geometry by Full-Matrix Refinement of γB- and βB2-Crystallin

Estimated standard deviations (e.s.d.'s) of the coordinates for two protein structures are calculated by inversion of the full normal equations matrix during least-squares refinement. The e.s.d.'s are analysed with respect to the atomic U values and deviations of bond lengths from target distances.

Crystallographic Study of Azurin from Pseudomonas putida

Structures of Pseudomonas putida azurin in two polymorphs, one crystallized in the presence and one in the absence of zinc acetate, have been determined at 1.60 and 1.92 Å resolution, respectively. The protein forms nearly identical dimers in both asymmetric units which differ in relative monomer orientation from dimers of other known azurins; chelation of one of the zinc ions by a twofold-related pair of molecules explains the observed change in lattice parameters upon zinc incorporation.

Crystallization of NAD⁺-dependent phenylalanine de­hydrogenase from Nocardia sp239

Crystallization of the NAD⁺-dependent phenylalanine dehydrogenase from Nocardia sp239 in the presence and absence of co-factor and substrates.

Crystallization and preliminary X-ray analysis of tetanus neurotoxin C fragment

Two crystal forms of tetanus neurotoxin C fragment, the receptor binding sub-unit, have been obtained. Both forms belong to space group P2₁2₁2₁ but they possess different unit-cell dimensions and crystal morphologies.

Crystallization of the α-hemolysin heptamer solubilized in decyldi­methyl- and decyldi­ethylphosphine oxide

Crystals of the α-hemolysin heptamer, a transmembrane channel from Staphylococcus aureus, have been grown in the presence of the detergents decyldimethyl- and decyldiethylphosphine oxide. Five crystal forms werre obtained, one of which belongs to the space group P1 and diffracts to 3 Å resolution.

Crystallization and preliminary analysis of chondroitinase AC from Flavobacterium heparinum

Chondroitinase AC from Flavobacterium heparinum, a glycosaminogycan lyase, has been crystallized by the vapor-diffusion method using polyethylene glycol as a precipitant. Crystals belong to P4₃2₁2 space group and diffract to better than 2.5 Å resolution.

Crystallization and preliminary X-ray diffraction studies of phospho-adenylylsulfate (PAPS) reductase from E. coli

PAPS reductase from E. coli could be crystallized and preliminary X-ray diffraction studies have been carried out. The enzyme is involved in sulfate reduction, which is the source of reduced sulfur for all sulfur-containing metabolites.

Crystallization and preliminary X-ray diffraction analysis of cytochrome c′ from Rubrivivax gelatinosus at 1.3 Å resolution

Crystals of cytochrome c′ from Rubrivivax gelatinosus obtained at pH 5, 6.3 and 8 diffract, respectively, to 2.0, 1.4 and 1.3 Å using synchrotron radiation and cryogenic conditions. Data (99.8% completeness) collected on a crystal grown at pH 8 allowed the determination of the space group (P3₁21 or P3₂21) and the unit-cell parameters (a = b = 69.63, c = 123.63 Å).

Molecular toxicology