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The three-dimensional crystal structure of Serratia marcescens endonuclease has been refined at 1.1 A resolution to an R factor of 12.9% and an R(free) of 15.6% with the use of anisotropic temperature factors. The model contains 3694 non-H atoms, 715 water molecules, four sulfate ions and two Mg(2+)-binding sites at the active sites of the homodimeric protein. It is shown that the magnesium ion linked to the active-site Asn119 of each monomer is surrounded by five water molecules and shows an octahedral coordination geometry. The temperature factors for the bound Mg(2+) ions in the A and B subunits are 7.08 and 4.60 A(2), respectively, and the average temperature factors for the surrounding water molecules are 12.13 and 10.3 A(2), respectively. In comparison with earlier structures, alternative side-chain conformations are defined for 51 residues of the dimer, including the essential active-site residue Arg57. A plausible mechanism of enzyme function is proposed based on the high-resolution S. marcescens nuclease structure, the functional characteristics of the natural and mutational forms of the enzyme and consideration of its structural analogy with homing endo-nuclease I-PpoI.

The three-dimensional crystal structure of Serratia marcescens (Sm) nuclease has been refined at 1.7 A resolution to the R-factor of 17.3% and R-free of 22.2%. The final model consists of 3678 non-hydrogen atoms and 443 water molecules. The analysis of the secondary and the tertiary structures of the Sm nuclease suggests a topology which reveals essential inner symmetry in all the three layers forming the monomer. We propose the plausible mechanism of its action based on a concerted participation of the catalytically important aniino acid residues of the enzyme active site.

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Inorganic chemistry Z 0100 Subcritical and Supercritical Water: A Universal Medium for Chemical Reactions -[208 refs.]. -(GALKIN, A. A.; LUNIN, V. V.; Russ. Chem. Rev. (Engl. Transl.) 74 (2005) 1, 21-35; Dep. Chem., Lomonosov Moscow State Univ., Moscow 119992, Russia; Eng.) -Schramke 27-217

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Ca and/or F-modified samples of LaMnO3 have been prepared by the Pechini method. The bulk structure of samples was characterized by TEM, EXAFS and XRD, while the surface composition was studied by SIMS. Thermal analysis, O2 TPD, H2 TPR and isothermal pulse/flow samples reduction by CO were applied to characterize the accessible surface/bulk oxygen mobility and reactivity. A reasonable description of the experimental energetic spectrum of the surface oxygen for various types of regular and defect surface sites on the perovskite faces was achieved by using semiempirical Interacting Bonds Method in the slab approximation with a due regard for the surface face termination and relaxation. Fluorine was found to decrease the surface coverage by reactive weakly bound oxygen forms while increasing the bulk oxygen excess and mobility. Calcium generated reactive weakly bound oxygen forms while decreasing the oxygen excess in the lattice and converting the regular M-O oxygen forms into the bridging ones through migration to the surface.