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Refining a model electron-density map via the Phantom Derivative method.

作者信息

Burla Maria Cristina, Carrozzini Benedetta, Cascarano Giovanni Luca, Giacovazzo Carmelo, Polidori Giampiero

机构信息

Dipartimento di Fisica e Geologia, Università di Perugia, Via Pascoli, 06123 Perugia, Italy.

Istituto di Cristallografia, CNR, Via G. Amendola 122/o, 70126 Bari, Italy.

出版信息

Acta Crystallogr D Biol Crystallogr. 2015 Sep;71(Pt 9):1864-71. doi: 10.1107/S1399004715013024. Epub 2015 Aug 28.

Abstract

The Phantom Derivative (PhD) method [Giacovazzo (2015), Acta Cryst. A71, 483-512] has recently been described for ab initio and non-ab initio phasing. It is based on the random generation of structures with the same unit cell and the same space group as the target structure (called ancil structures), which are used to create derivatives devoid of experimental diffraction amplitudes. In this paper, the non-ab initio variant of the method was checked using phase sets obtained by molecular-replacement techniques as a starting point for phase extension and refinement. It has been shown that application of PhD is able to extend and refine phases in a way that is competitive with other electron-density modification techniques.

摘要

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