Combining experimental data for structure determination of flexible multimeric macromolecules by molecular replacement

X-ray and EM data, together with normal-mode analysis of molecular templates, are used to obtain a molecular-replacement solution for crystal structures containing multimeric flexible molecules.

Structure of T4moC, the Rieske-type ferredoxin component of toluene 4-monooxygenase

The crystal structure of T4moC from the toluene 4-monooxygenase of P. mendocina KR1 has been determined at a resolution of 1.48 Å. Structural analysis and comparison of T4moC with other structurally characterized Rieske-type ferredoxins is reported.

Structure of the catalytic nucleotide-binding subunit A of A-type ATP synthase from Pyrococcus horikoshii reveals a novel domain related to the peripheral stalk

The first X-ray structure of the catalytic nucleotide-binding subunit A of the A₁-ATPase has been determined at 2.55 Å resolution.

On the role of the R configuration of the reaction-intermediate isostere in HIV-1 protease-inhibitor binding: X-ray structure at 2.0 Å resolution

Structures of HIV-1 protease in complex with pseudopeptide inhibitors give new insights into the influence of the R/S configuration of the isostere and its hydroxy group on the efficiency of hydroxyethylamine and ethylenamine inhibitors.

Resolution improvement of X-ray diffraction data of crystals of a vesicular stomatitis virus nucleocapsid protein oligomer complexed with RNA

A vesicular stomatitis virus protein oligomer complexed with RNA has been crystallized and the diffraction limits of the crystals improved by a simple soaking procedure. The internal symmetry of the oligomer and size constraints were used to determine the crystal packing arrangement.

I222 crystal form of despentapeptide (B26–B30) insulin provides new insights into the properties of monomeric insulin

Despentapeptide (des-B26-B30) insulin (DPI), an active modified insulin, has been crystallized in the presence of 20% acetic acid pH 2. A crystal structure analysis to 1.8 Å spacing (space group I222) revealed that the DPI molecule, which is unable to make β-strand interactions for physiological dimer formation and is apparently monomeric in solution, formed an alternative lattice-generated dimer.

The binding of 2,4-di­nitrophenol to wild-type and amyloidogenic transthyretin

Crystal structures of 2,4-dinitrophenol bound to wild-type TTR and to two amyloidogenic variants, TTR L55P and TTR Y78F, have been determined. The structural features responsible for the interaction between 2,4-dinitrophenol and transthyretin and its stabilizing effect on the protein is discussed.

Novel versatile cryoprotectants for heavy-atom derivatization of protein crystals

The adaptability of two novel oil- and water-based cryoprotection reagents has been examined for the cryoprotection of crystals of five different proteins. Use of these versatile cryoprotectants in the presence of heavy-atom reagents allows rapid and efficient preparation of heavy-atom derivative crystals.

Structure of a red fluorescent protein from Zoanthus, zRFP574, reveals a novel chromophore

The crystal structure of the red fluorescent protein zRFP574 from Zoanthus sp. at 2.4 Å resolution has revealed a novel chromophore with a decarboxylated side chain of the chromophore-forming Asp66 residue.

Low-resolution ab initio phasing of Sarcocystis muris lectin SML-2

The connectivity-based ab initio phasing method was applied to obtain the first low-resolution crystallographic images from crystals of the lectin SML-2.

Structure of alcohol de­hydrogenase from Entamoeba histolytica

The structure of alcohol dehydrogenase from E. histolytica has been determined at 1.8 Å.

Mutation of Gly51 to serine in the P-loop of Lactobacillus casei folylpolyglutamate synthetase abolishes activity by altering the conformation of two adjacent loops

The crystal structures of three mutants of L. casei folylpolyglutamate synthetase have been determined, along with the structure of the apoenzyme. The mutation of Gly51 to a serine at the ATP-binding site results in a major conformational change in an adjacent loop (the Ω-loop, residues 72–82). This structural rearrangement results in an inactive enzyme and points to the critical role played by the Ω-loop in both magnesium and folate substrate binding.

A method for screening the temperature dependence of three-dimensional crystal formation

A new system is described for rapidly screening the effect of temperature on protein crystallization.

Structure of the inactive variant C60S of Mycobacterium tuberculosis thiol peroxidase

The inactive variant C60S of Mycobacterium tuberculosis thiol peroxidase shows the reduced form of the atypical 2-Cys peroxiredoxin.