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Re: [ccp4bb] Why there are difference density when occupancy is 1.00 |
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CCP4bb navigationCCP4bb <-- 2008 <-- January 2008 <-- 24 January 2008Subject: Re: Why there are difference density when occupancy is 1.00 From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK Date: 2008-01-24 residues have you included them in the TLS group? Eleanor Sun Tang wrote: > Hi James, > > I did check teh B-factors and they are similar to the flanking regions (about 40). The difference density appeared at the later stage of refinement (TLS and restrained in CCP4i). > > What do you think and how to do it? > > Best, > > Sun Tang > > James Irving > I suggest checking that the b-factors for those residues aren't > unexpectedly high compared to those in the flankinh regions. > Cheers, > James > > > On 1/23/08, Sun Tang wrote: > >> Hello Everyone, >> >> When I refined a structure, I found strong difference density Fo-Fc at 3 >> sigma contour for the for five residues which already have occupancy of 1. >> The density is continuous and so strong as if I did not put the residues >> there. Why was that? Can I put greater than 1 occupancy for those residues? >> >> Thank you very much for your opinions and suggestions! >> >> Best wishes, >> >> Sun Tang >> >> >> --------------------------------- >> Never miss a thing. Make Yahoo your homepage. >> > > CCP4bb navigationCCP4bb <-- 2008 <-- January 2008 <-- 24 January 2008 |
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