On the ab initio solution of the phase problem or macromolecules at very low resolution. II. Generalized likelihood based approach to cluster discrimination

V. Y. Lunin , N. L. Lunina , T. E. Petrova , A. G. Urzhumtsev , Alberto Podjarny (1, 2)

1 IGBMC - Institut de génétique et biologie moléculaire et cellulaire
2 IGBMC - Institut de Génétique et de Biologie Moléculaire et Cellulaire

The multisolution strategies for direct phasing at very low resolution, such as the few atoms model technique, result in a number of alternative phase sets, each of them arising from a cluster of closely related models. Use of a Monte-Carlo type computer procedure is suggested to choose between the possible phase sets. It consists of generating a large number of pseudo-atom models inside the mask defined by a trial phase set and the use of histograms of magnitude correlation to evaluate the masks. It is shown that the procedure may be considered as a generalization of the statistical maximum-likelihood principle and may be used as a powerful supplementary tool in the likelihood-based approaches to the phase problem solution.

Domaines: Biochimie, Biologie Moléculaire

V. Y. Lunin, N. L. Lunina, T. E. Petrova, A. G. Urzhumtsev, Alberto Podjarny. On the ab initio solution of the phase problem or macromolecules at very low resolution. II. Generalized likelihood based approach to cluster discrimination. Acta Crystallographica Section D: Biological Crystallography, 1998, 54 (5), pp.726-734. ⟨10.1107/s0907444997012456⟩. ⟨hal-04014319⟩