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Re: [ccp4bb] High overall b-factor |
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CCP4bb navigationCCP4bb <-- 2007 <-- March 2007 <-- 09 March 2007Subject: Re: High overall b-factor From: ezra peisach epeisach {- at -} MED-XTAL {- dot -} BU {- dot -} EDU Date: 2007-03-09 factor is being determined from the slope of a Wilson plot. However, Wilson plots only really "work" at higher resolution (2.8 or better). Look at the output from truncate and see what it is predicting - and look at the plot - it should be pretty obvious why you have such a high B. Ezra On Fri, 9 Mar 2007, 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 <-- 09 March 2007 |
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