Life-science applications of the Cambridge Structural DatabaseInternational Union of Crystallography (IUCr) - Tập 58 Số 6 - Trang 879-888 - 2002
Robin Taylor
Several studies show that the molecular geometries and intermolecular interactions observed in small-molecule crystal structures are relevant to the modelling of in vivo situations, although the influence of crystal packing is sometimes important and should always be borne in mind. Torsional distributions derived from the Cambridge Structural Database (CSD) can b...... hiện toàn bộ
Structures of ruthenium-modified Pseudomonas aeruginosa azurin and [Ru(2,2′-bipyridine)2(imidazole)2]SO4·10H2OInternational Union of Crystallography (IUCr) - Tập 55 Số 2 - Trang 379-385 - 1999
Salem Faham, Michael W. Day, William B. Connick, Brian R. Crane, Angel J. Di Bilio, W. P. Schaeffer, Douglas C. Rees, Harry B. Gray
The crystal structure of Ru(2,2′-bipyridine)2(imidazole)(His83)azurin (RuAz) has been determined to 2.3 Å resolution by X-ray crystallography. The spectroscopic and thermodynamic properties of both the native protein and [Ru(2,2′-bipyridine)2(imidazole)2]2+ are maintained in the modified protein. Dark-green...... hiện toàn bộ
Generation, representation and flow of phase information in structure determination: recent developments in and around SHARP 2.0International Union of Crystallography (IUCr) - Tập 59 Số 11 - Trang 2023-2030 - 2003
G. Bricogne, Clemens Vonrhein, C. Flensburg, M. Schiltz, W. A. Paciorek
The methods for treating experimental data in the isomorphous replacement and anomalous scattering methods of macromolecular phase determination have undergone considerable evolution since their inception 50 years ago. The successive formulations used are reviewed, from the most simplistic viewpoint to the most advanced, including the exploration of some blind alleys. A new treatment is pr...... hiện toàn bộ