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Re: [ccp4bb] High overall b-factor |
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CCP4bb navigationCCP4bb <-- 2007 <-- March 2007 <-- 19 March 2007Subject: Re: High overall b-factor From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK Date: 2007-03-19 out at 3.2A I think you would expect such a high B. But also it is quite difficult to estimate the overall B for such a data set - look at the Wilson plot from the Importscaled data step and see what value it suggests? Eleanor George Lountos wrote: > > Hello all: > > I just recently collected data on initial crystals I grew of an enzyme > with inhibitor. The crystals diffract to only 3.2 A but I was able to > get phases by molecular replacement to see if there is any inhibitor > bound. Although the data processed well in HKL2000 with good > statistics and the current structure refinement is at R-factor of 22% > and R-free 30% at 3.2 A, the overall B-factor of the protein is very, > high (100 A^2). I can see difference density for the ligand in the > active site and after refinement it fits well in the density but the > B-factor for the ligand is 110. I have not come across a refinement > with such high B-factors where the protein density and ligand density > can be distinguished at such high B-factors. Does anyone have any > suggestions if there is something going wrong here? > > Thanks, > > George > > > ------------------------------------------------------------------------ > Get a FREE Web site, company branded e-mail and more from Microsoft > Office Live! CCP4bb navigationCCP4bb <-- 2007 <-- March 2007 <-- 19 March 2007 |
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