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Ab initioprotein phasing: the Patterson deconvolution method inSIR2002

Authors :: Burla M.C. 1
Caliandro R. 2
Carrozzini B. 2
Cascarano G.L. 2
De Caro L. 2
Giacovazzo C.2
3
Polidori G. 1
Source :: Journal of applied crystallography 37 (2004): 258–264. doi:10.1107/S0021889804001062, info:cnr-pdr/source/autori:Burla M.C. 1, Caliandro R. 2, Carrozzini B. 2, Cascarano G.L. 2, De Caro L. 2, Giacovazzo C.2,3, Polidori G. 1/titolo:Ab initio protein phasing: the Patterson deconvolution method in SIR2002/doi:10.1107%2FS0021889804001062/rivista:Journal of applied crystallography/anno:2004/pagina_da:258/pagina_a:264/intervallo_pagine:258–264/volume:37
Publication Year :: 2004
Publisher :: International Union of Crystallography (IUCr), 2004.
Abstract: An automated Patterson deconvolution technique, based on the minimum superposition function, has been implemented into theSIR2002package, a program for theab initiodetermination of small and large molecules. The procedure, combined with the direct-space phase refinement routines present in theSIR2002program, has been designed to solve proteins diffracting at atomic resolution. The procedure has been validated using a large set of test structures, containing either heavy or intermediate atoms (e.g.P, S and Cl) and with structural complexity up to 1500 non-hydrogen atoms in the asymmetric unit. The success, obtained in a completely automatic way, requires a very short computing time and indicates that Patterson deconvolution techniques are a valid alternative to current direct-methods approaches.