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Article: SAD phasing by combination of direct methods with the Solve/Resolve procedure

TitleSAD phasing by combination of direct methods with the Solve/Resolve procedure
Authors
Issue Date2004
PublisherWiley-Blackwell Publishing, Inc.. The Journal's web site is located at http://www.wiley.com/bw/editors.asp?ref=0907-4449&site=1
Citation
Acta Crystallographica Section D: Biological Crystallography, 2004, v. 60 n. 7, p. 1244-1253 How to Cite?
AbstractIn the initial stage of SAD phasing, the essential point is to break the intrinsic phase ambiguity. The presence of two kinds of phase information enables the discrimination of phase doublets from SAD data prior to density modification. One is from the heavy atoms (anomalous scatterers), while the other is from the direct-methods phase relationships. The former can be expressed by the Sim distribution, while the latter can be expressed by the Cochran distribution. Typically, only the Sim distribution has been used to yield initial phases for subsequent density modification. However, it has been demonstrated that using direct-methods phases based on the product of the Sim and Cochran distributions can lead to improved initial phases. In this paper, the direct-methods phasing procedure OASIS has been improved and combined with the SOLVE/RESOLVE procedure. Experimental SAD data from three known proteins with expected Bijvoet ratios (|ΔF|)/(F) in the range 1.4-7.0% were used as test cases. In all cases, the phases obtained using the program RESOLVE beginning with initial phases based on experimental phases plus Sim and direct-methods information were more accurate than those based on experimental plus Sim phase information alone. © 2004 International Union of Crystallography.
Persistent Identifierhttp://hdl.handle.net/10722/91894
ISSN
2013 Impact Factor: 7.232
2015 SCImago Journal Rankings: 3.088
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorWang, JWen_HK
dc.contributor.authorChen, JRen_HK
dc.contributor.authorGu, YXen_HK
dc.contributor.authorZheng, CDen_HK
dc.contributor.authorJiang, Fen_HK
dc.contributor.authorFan, HFen_HK
dc.contributor.authorTerwilliger, TCen_HK
dc.contributor.authorHao, Qen_HK
dc.date.accessioned2010-09-17T10:29:47Z-
dc.date.available2010-09-17T10:29:47Z-
dc.date.issued2004en_HK
dc.identifier.citationActa Crystallographica Section D: Biological Crystallography, 2004, v. 60 n. 7, p. 1244-1253en_HK
dc.identifier.issn0907-4449en_HK
dc.identifier.urihttp://hdl.handle.net/10722/91894-
dc.description.abstractIn the initial stage of SAD phasing, the essential point is to break the intrinsic phase ambiguity. The presence of two kinds of phase information enables the discrimination of phase doublets from SAD data prior to density modification. One is from the heavy atoms (anomalous scatterers), while the other is from the direct-methods phase relationships. The former can be expressed by the Sim distribution, while the latter can be expressed by the Cochran distribution. Typically, only the Sim distribution has been used to yield initial phases for subsequent density modification. However, it has been demonstrated that using direct-methods phases based on the product of the Sim and Cochran distributions can lead to improved initial phases. In this paper, the direct-methods phasing procedure OASIS has been improved and combined with the SOLVE/RESOLVE procedure. Experimental SAD data from three known proteins with expected Bijvoet ratios (|ΔF|)/(F) in the range 1.4-7.0% were used as test cases. In all cases, the phases obtained using the program RESOLVE beginning with initial phases based on experimental phases plus Sim and direct-methods information were more accurate than those based on experimental plus Sim phase information alone. © 2004 International Union of Crystallography.en_HK
dc.languageengen_HK
dc.publisherWiley-Blackwell Publishing, Inc.. The Journal's web site is located at http://www.wiley.com/bw/editors.asp?ref=0907-4449&site=1en_HK
dc.relation.ispartofActa Crystallographica Section D: Biological Crystallographyen_HK
dc.titleSAD phasing by combination of direct methods with the Solve/Resolve procedureen_HK
dc.typeArticleen_HK
dc.identifier.emailHao, Q: qhao@hku.hken_HK
dc.identifier.authorityHao, Q=rp01332en_HK
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1107/S0907444904010674en_HK
dc.identifier.scopuseid_2-s2.0-16644390240en_HK
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-16644390240&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume60en_HK
dc.identifier.issue7en_HK
dc.identifier.spage1244en_HK
dc.identifier.epage1253en_HK
dc.identifier.isiWOS:000222177600008-
dc.publisher.placeUnited Statesen_HK
dc.identifier.scopusauthoridWang, JW=7701340141en_HK
dc.identifier.scopusauthoridChen, JR=8711675400en_HK
dc.identifier.scopusauthoridGu, YX=7403046284en_HK
dc.identifier.scopusauthoridZheng, CD=7401934929en_HK
dc.identifier.scopusauthoridJiang, F=7202977543en_HK
dc.identifier.scopusauthoridFan, HF=7402554116en_HK
dc.identifier.scopusauthoridTerwilliger, TC=7006460445en_HK
dc.identifier.scopusauthoridHao, Q=7102508868en_HK

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