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生物秀生物秀--专心做生物专心做生物！！生物秀论坛—学术交流、资源共享与互助社区生物部落—生物医药人网络家园生物百科—生命科学第一百科生物秀知道—生命科学问题解决之道！•X-•NMR••AFMPDBHoldingsList:23-Nov-2004()MoleculeTypeProteins,Peptides,andVirusesProtein/NucleicAcidComplexesNucleicAcidsCarbohydratestotalX-rayDiffractionandother2233710977541124199NMR335110562124079Total25688120213751328278Exp.Tech.Pleasenotethattheoreticalmodelshavebeenremoved,effectiveJuly02,2002,asper.PDBpolicy••••••Laue••30K10K•-pH••••X-3.5••X-••••••••••••––PeterAgreRoderickMacKinnon1/2oftheprize1/2oftheprizeJohnsHopkinsUniversitySchoolofMedicineBaltimore,MD,USARockefellerUniversity,HowardHughesMedicalInstituteNewYork,NY,USAb.1949b.1956X-Bragg2dsinθ=nλX-X-X-1.•CuKα•2.•IP(imageplate)•CCD3.ResolutionSittingDropHangingDropFouriertransforms:structurefactors,phasesandelectrondensityThestructurefactorequationTheelectrondensityequationTheimportanceofphaseThephaseproblemPattersonfunctionthePattersonfunctiongivesusamapofthevectorsbetweenatoms.F2P(x)MolecularReplacementPattersonDirectmethods–KarleandHauptmanMultipleisomorphousreplacementFPH=FP+FHFPAnomalousdispersionFriedel’sLaw:F(hkl)=F(-h,-k,-l)SADMAD(multipleanomalousdispersion):SeMet.Electrondensityfitting,refinementandvalidationBonesandtracingthechainFittingsidechainsRefinementandrefittingX-PLOR,CNSEcrystal=kΣ(|Fo-Fc|)2RfreeRB-factor:temperature-factororDebye-Wallerfactor.Procheck(1)(2)(3)(4)•Resolution•Datacompleteness•R,Rfree•Asymmetricalunit–•B-factor•Alternativeconformations•Disorders•Cofactorsandsolventmolecules•Structuralgenomics•High-throughputandautomaticproteincloning,purification•High-throughputandautomaticproteincrystallization•Automaticstructuredetermination•Newmethodsforphasing•Morecomplexstructure