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

作　　者：张涛 武丽杰 古元新 郑朝德 范海福 

机构地区：[1]Research Institute of Magnetic Materials,School of Physical Sciences and Technology,Lanzhou University [2]Beijing National Laboratory for Condensed Matter Physics and Key Laboratory of Soft Matter Physics,Institute of Physics,Chinese Academy of Sciences

出　　处：《Chinese Physics B》2010年第9期7-11,共5页中国物理B（英文版）

基　　金：supported by the Innovation Project of the Chinese Academy of Sciences;supported by the National Basic Research Program of China (Grant No.2002CB713801)

摘　　要：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.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.

关 键 词：OASIS dual-space phasing model completion proteins 

分 类 号：Q51[生物学—生物化学]