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  • Title: EDM-DEDM and protein crystal structure solution.
    Author: Caliandro R, Carrozzini B, Cascarano GL, Giacovazzo C, Mazzone AM, Siliqi D.
    Journal: Acta Crystallogr D Biol Crystallogr; 2009 May; 65(Pt 5):477-84. PubMed ID: 19390153.
    Abstract:
    Electron-density modification (EDM) procedures are the classical tool for driving model phases closer to those of the target structure. They are often combined with automated model-building programs to provide a correct protein model. The task is not always performed, mostly because of the large initial phase error. A recently proposed procedure combined EDM with DEDM (difference electron-density modification); the method was applied to the refinement of phases obtained by molecular replacement, ab initio or SAD phasing [Caliandro, Carrozzini, Cascarano, Giacovazzo, Mazzone & Siliqi (2009), Acta Cryst. D65, 249-256] and was more effective in improving phases than EDM alone. In this paper, a novel fully automated protocol for protein structure refinement based on the iterative application of automated model-building programs combined with the additional power derived from the EDM-DEDM algorithm is presented. The cyclic procedure was successfully tested on challenging cases for which all other approaches had failed.
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