A mathematical model-building procedure for proteins
01 Aug 1966-Acta Crystallographica (International Union of Crystallography (IUCr))-Vol. 21, Iss: 2, pp 253-266
TL;DR: In this article, the existence of the tautomeric form (I) of pyridaz-3-thione not only in solution but in the solid state as well.
Abstract: to be 0.112 A shorter than the sum of the Pauling covalent radii for carbon and sulphur. This bond must therefore possess considerable double-bond character. Cucka (1963) also puts forward an argument for the existence of a similar ring system in that his calculations support the evidence for hydrogen atoms attached to C(2), C(3), C(4) and N(2). Thus it appears, from these two X-ray investigations and Hedgley's observations, that there is now sufficient evidence to confirm the existence of the tautomeric form (I) of pyridaz-3-thione not only in solution but in the solid state as well.
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TL;DR: The Protein Data Bank is a computer-based archival file for macromolecular structures that stores in a uniform format atomic co-ordinates and partial bond connectivities, as derived from crystallographic studies.
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TL;DR: The Protein Data Bank is a computer-based archival file for macromolecular structures that stores in a uniform format atomic co-ordinates and partial bond connectivities, as derived from crystallographic studies.
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TL;DR: The working principles of important steps in processing rotation data are described as employed by the program XDS.
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Cites methods from "A mathematical model-building proce..."
...To take care of these difficulties, the system of equations is rescaled to yield unit diagonal elements for the normal matrix and the correction vector s is filtered by projection into a subspace defined by the eigenvectors of the normal matrix with sufficiently large eigenvalues (Diamond, 1966)....
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