Combining SAD/SIR iteration and MR iteration in partial-model extension of proteins

doi:10.1088/1674-1056/19/9/096101

Abstract There are two kinds of dual-space partial-model extensions which involve the direct-method program OASIS. The first kind, named SAD/SIR iteration, uses SAD/SIR information, while the second kind, named molecular replacement (MR) iteration, does not use that information. In general, the SAD/SIR iteration is more powerful since more experimental information is used. However, in most cases when protein structures are solved with the molecular replacement method, SAD/SIR information is not available. Thus the MR iteration is particularly useful for the completion of models from molecular replacement. The SAD/SIR iteration will be automatically used in OASIS for data sets containing SAD/SIR signals, while the MR iteration will be dedicated to data sets without SAD/SIR signals. The present paper shows that for data containing SAD/SIR signals, a combination of SAD/SIR iteration and MR iteration could lead to significantly better results than that obtained from the SAD/SIR iteration alone.

Keywords: OASIS dual-space phasing model completion proteins

Received: 28 April 2010
Revised: 21 May 2010
Accepted manuscript online:

PACS:	6110M
	8715

Fund: Work supported by the Innovation Project of the Chinese Academy of Sciences and by the National Basic Research Program of China (Grant No. 2002CB713801).

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Zhang Tao(张涛), Wu Li-Jie(武丽杰), Gu Yuan-Xin(古元新), Zheng Chao-De(郑朝德), and Fan Hai-Fu(范海福) Combining SAD/SIR iteration and MR iteration in partial-model extension of proteins 2010 Chin. Phys. B 19 096101

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Combining SAD/SIR iteration and MR iteration in partial-model extension of proteins

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