Density constraints and low-resolution phasing.

Urzhumtsev, A G; Lunina, N L; Skovoroda, T P; Podjarny, A D; Lunin, V Y

Urzhumtsev, A G; Lunina, N L; Skovoroda, T P; Podjarny, A D; Lunin, V Y.

Afiliación

Urzhumtsev AG; LCM3B, UPRESA 7036 CNRS, Faculté des Sciences, Université Henri Poincaré Nancy I, 54506 Vandoeuvre-lès-Nancy, France. sacha@lcm3b.u-nancy.fr

Acta Crystallogr D Biol Crystallogr ; 56(Pt 10): 1233-44, 2000 Oct.

Article en En | MEDLINE | ID: mdl-10998619

RESUMEN

Direct phasing needs additional information of a non-specific kind in order to select the correct phase set from all possible ones. This paper analyses the use of constraints which can be formulated in terms of electron-density values. One- and multi-dimensional histograms and connectivity properties are implemented as such constraints in density-modification procedures. These approaches usually cannot unambiguously select the best solution from a set of alternative phase variants. Nevertheless, they do allow the rejection of wrong solutions and the use of cluster analysis and averaging on the remaining variants provide a good starting point for further phase-refinement procedures.

Asunto(s)

Cristalografía por Rayos X/métodos; Isoenzimas/química; Conformación Molecular; Conformación Proteica; Ribonucleasas/química; Electrones; Análisis de Fourier; Modelos Moleculares

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Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Conformación Proteica / Ribonucleasas / Cristalografía por Rayos X / Isoenzimas / Conformación Molecular Idioma: En Revista: Acta Crystallogr D Biol Crystallogr Año: 2000 Tipo del documento: Article País de afiliación: Francia Pais de publicación: Estados Unidos

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