000111909 001__ 111909
000111909 005__ 20200402205949.0
000111909 0247_ $$2pmid$$apmid:22681901
000111909 0247_ $$2pmc$$apmc:PMC3380535
000111909 0247_ $$2DOI$$a10.1016/j.str.2012.04.020
000111909 0247_ $$2WOS$$aWOS:000305094500004
000111909 037__ $$aPreJuSER-111909
000111909 041__ $$aeng
000111909 082__ $$a570
000111909 1001_ $$0P:(DE-HGF)0$$aBrunger, A.T.$$b0
000111909 245__ $$aImproving the accuracy of macromolecular structure refinement at 7 Å resolution
000111909 260__ $$aLondon [u.a.]$$bElsevier Science$$c2012
000111909 300__ $$a957 - 966
000111909 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article
000111909 3367_ $$2DataCite$$aOutput Types/Journal article
000111909 3367_ $$00$$2EndNote$$aJournal Article
000111909 3367_ $$2BibTeX$$aARTICLE
000111909 3367_ $$2ORCID$$aJOURNAL_ARTICLE
000111909 3367_ $$2DRIVER$$aarticle
000111909 440_0 $$026723$$aStructure$$v20$$y6
000111909 500__ $$aRecord converted from VDB: 16.11.2012
000111909 520__ $$aIn X-ray crystallography, molecular replacement and subsequent refinement is challenging at low resolution. We compared refinement methods using synchrotron diffraction data of photosystem I at 7.4 Å resolution, starting from different initial models with increasing deviations from the known high-resolution structure. Standard refinement spoiled the initial models, moving them further away from the true structure and leading to high R(free)-values. In contrast, DEN refinement improved even the most distant starting model as judged by R(free), atomic root-mean-square differences to the true structure, significance of features not included in the initial model, and connectivity of electron density. The best protocol was DEN refinement with initial segmented rigid-body refinement. For the most distant initial model, the fraction of atoms within 2 Å of the true structure improved from 24% to 60%. We also found a significant correlation between R(free) values and the accuracy of the model, suggesting that R(free) is useful even at low resolution.
000111909 536__ $$0G:(DE-Juel1)FUEK409$$2G:(DE-HGF)$$aFunktion und Dysfunktion des Nervensystems$$cP33$$x0
000111909 536__ $$0G:(DE-Juel1)FUEK505$$aBioSoft: Makromolekulare Systeme und biologische Informationsverarbeitung$$cP45$$x1
000111909 588__ $$aDataset connected to Pubmed
000111909 650_2 $$2MeSH$$aBacterial Proteins: chemistry
000111909 650_2 $$2MeSH$$aCrystallography, X-Ray
000111909 650_2 $$2MeSH$$aModels, Molecular
000111909 650_2 $$2MeSH$$aPhotosystem I Protein Complex: chemistry
000111909 650_2 $$2MeSH$$aProtein Structure, Secondary
000111909 650_2 $$2MeSH$$aProtein Structure, Tertiary
000111909 650_2 $$2MeSH$$aSoftware
000111909 650_2 $$2MeSH$$aStructural Homology, Protein
000111909 650_7 $$00$$2NLM Chemicals$$aBacterial Proteins
000111909 650_7 $$00$$2NLM Chemicals$$aPhotosystem I Protein Complex
000111909 7001_ $$0P:(DE-HGF)0$$aAdams, P.D.$$b1
000111909 7001_ $$0P:(DE-HGF)0$$aFromme, P.$$b2
000111909 7001_ $$0P:(DE-HGF)0$$aFromme, R.$$b3
000111909 7001_ $$0P:(DE-HGF)0$$aLevitt, M.$$b4
000111909 7001_ $$0P:(DE-Juel1)132018$$aSchröder, G.F.$$b5$$uFZJ
000111909 773__ $$0PERI:(DE-600)2031189-8$$a10.1016/j.str.2012.04.020$$gVol. 20, p. 957 - 966$$p957 - 966$$q20<957 - 966$$tStructure$$v20$$x0969-2126$$y2012
000111909 8567_ $$2Pubmed Central$$uhttp://www.ncbi.nlm.nih.gov/pmc/articles/PMC3380535
000111909 909CO $$ooai:juser.fz-juelich.de:111909$$pVDB
000111909 9141_ $$y2012
000111909 915__ $$0StatID:(DE-HGF)0040$$2StatID$$aPeer review unknown
000111909 915__ $$0StatID:(DE-HGF)0100$$2StatID$$aJCR
000111909 915__ $$0StatID:(DE-HGF)0110$$2StatID$$aWoS$$bScience Citation Index
000111909 915__ $$0StatID:(DE-HGF)0111$$2StatID$$aWoS$$bScience Citation Index Expanded
000111909 915__ $$0StatID:(DE-HGF)0150$$2StatID$$aDBCoverage$$bWeb of Science Core Collection
000111909 915__ $$0StatID:(DE-HGF)0199$$2StatID$$aDBCoverage$$bThomson Reuters Master Journal List
000111909 915__ $$0StatID:(DE-HGF)0200$$2StatID$$aDBCoverage$$bSCOPUS
000111909 915__ $$0StatID:(DE-HGF)0300$$2StatID$$aDBCoverage$$bMedline
000111909 915__ $$0StatID:(DE-HGF)0310$$2StatID$$aDBCoverage$$bNCBI Molecular Biology Database
000111909 915__ $$0StatID:(DE-HGF)0420$$2StatID$$aNationallizenz
000111909 915__ $$0StatID:(DE-HGF)1030$$2StatID$$aDBCoverage$$bCurrent Contents - Life Sciences
000111909 915__ $$0StatID:(DE-HGF)1050$$2StatID$$aDBCoverage$$bBIOSIS Previews
000111909 9131_ $$0G:(DE-Juel1)FUEK409$$1G:(DE-HGF)POF2-330$$2G:(DE-HGF)POF2-300$$bGesundheit$$kP33$$lFunktion und Dysfunktion des Nervensystems$$vFunktion und Dysfunktion des Nervensystems$$x0
000111909 9131_ $$0G:(DE-Juel1)FUEK505$$1G:(DE-HGF)POF2-450$$2G:(DE-HGF)POF2-400$$bSchlüsseltechnologien$$kP45$$lBiologische Informationsverarbeitung$$vBioSoft: Makromolekulare Systeme und biologische Informationsverarbeitung$$x1
000111909 9132_ $$0G:(DE-HGF)POF3-551$$1G:(DE-HGF)POF3-550$$2G:(DE-HGF)POF3-500$$aDE-HGF$$bKey Technologies$$lBioSoft  Fundamentals for future Technologies in the fields of Soft Matter and Life Sciences$$vFunctional Macromolecules and Complexes$$x0
000111909 9201_ $$0I:(DE-Juel1)ICS-6-20110106$$gICS$$kICS-6$$lStrukturbiochemie$$x0
000111909 970__ $$aVDB:(DE-Juel1)140540
000111909 980__ $$aVDB
000111909 980__ $$aConvertedRecord
000111909 980__ $$ajournal
000111909 980__ $$aI:(DE-Juel1)ICS-6-20110106
000111909 980__ $$aUNRESTRICTED
000111909 981__ $$aI:(DE-Juel1)IBI-7-20200312