On increasing protein-crystallization throughput for X-ray diffraction studies

A novel screening strategy and a simple modification of hardware have improved throughput for obtaining quality crystals for X-ray diffraction analysis.

A new method for predetermining the diffraction quality of protein crystals: using SOAP as a selection tool

A polarizing light microscope is used to assess quantitatively the optical quality of protein crystals. This optical quality is then compared with the diffraction quality of the crystals and found to be correlated.

Structure of Pseudomonas aeruginosa Hfq protein

The crystal structure of P. aeruginosa Hfq protein has been determined at 1.6 Å resolution.

Understanding the role of Leu22 variants in methotrexate resistance: comparison of wild-type and Leu22Arg variant mouse and human di­hydrofolate reductase ternary crystal complexes with methotrexate and NADPH

Structural data are reported to 2.5 Å resolution for the methotrexate-resistant L22R variant of mouse DHFR as a ternary complex with methotrexate and NADPH. Comparison of these data with the L22R variant of human DHFR and the wild-type mouse and human DHFR ternary complexes reveals that the active site of the mouse enzyme is larger than the human enzyme.

Structures of R- and T-state hemoglobin Bassett: elucidating the structural basis for the low oxygen affinity of a mutant hemoglobin

The crystal structures of R- and T-state hemoglobin Bassett suggest a stereochemical basis for the unusual functional properties of this hemoglobin.

Non-thermal microwave effects on protein dynamics? An X-ray diffraction study on tetragonal lysozyme crystals

Atomic mean-square displacements in tetragonal hen egg-white lysozyme crystals exposed to strong microwave fields are used as a probe for non-thermal microwave effects on protein dynamics. Results show that the effect of microwaves is largely thermal and determined by the heating of the crystal water by the microwave radiation.

Preliminary analysis of crystals of panicum mosaic virus (PMV) by X-ray diffraction and atomic force microscopy

Crystals of panicum mosaic virus have been grown and analyzed by X-ray diffraction and atomic force microscopy techniques. The virus particles were found to pack in a pseudo-face-centered cubic arrangement in space group P2₁, with two particles per asymmetric unit.

Structure of the F58W mutant of cytochrome b₅: the mutation leads to multiple conformations and weakens stacking interactions

The mutation from Phe58 to Trp58 of cytochrome b₅ leads to difficulty in growing single crystals and results in multiple conformations of several side chains and weakens the stacking interactions with heme and the axial ligand His63.

Structure of a Bacillus halmapalus family 13 α-amylase, BHA, in complex with an acarbose-derived nonasaccharide at 2.1 Å resolution

The three-dimensional structure of the B. halmapalus family GH13 α-amylase in complex with acarbose is reported at 2.1 Å resolution. The study reveals an unusual transglycosylation-derived nonasaccharide.

Molecular determinants of substrate specificity in the feruloyl esterase module of xylanase 10B from Clostridium thermocellum

The crystal structures of three different complexes (methyl syringate, methyl sinapinate and methyl vanillate) of the feruloyl esterase module derived from the C. thermocellum xylanase 10B are reported at 1.4 Å resolution. The substrates bind in a small depression on the surface of the enzyme that contains specific determinants for both the m-methoxy and the p-hydroxyl ring substituents.

The structure of F₄₂₀-dependent methylene­tetra­hydro­methanopterin de­hydrogenase: a crystallographic `superstructure' of the selenome­thionine-labelled protein crystal structure

A model for the twinned crystals of native methylenetetrahydromethanopterin dehydrogenase (Mtd) was derived from the structure of the Se-methionine labelled Mtd crystals by group–subgroup relations. The static changes found in the refined new structure are consistent with the striking anisotropic libration of the molecular moieties established by TLS refinement for Mtd-Se crystals.

FibreHelix, a program for calculating the X-ray diffraction pattern of macromolecules with helical symmetry: application to DNA coiled coils

FibreHelix, a program for calculating the X-ray diffraction patterns of fibres of macromolecules with helical symmetry, is presented. It is particularly useful for visualizing the diffraction pattern of coiled coils.