If I've lost my SCALA MTZ, and have only the truncated.mtz for my dataset, which program is the quickest means of obtaining a Wilson plot?
Thank you again, Jim --- On Wed, 8/20/08, Eleanor Dodson <[EMAIL PROTECTED]> wrote: > From: Eleanor Dodson <[EMAIL PROTECTED]> > Subject: Re: [ccp4bb] Lower completeness, decent R factors, but low B > factor... > To: [email protected] > Date: Wednesday, August 20, 2008, 4:30 AM > James Pauff wrote: > > Hello all, > > > > I have a refined structure at 2.6 angstroms that at > about 73% completeness at this resolution. The I/sigma is > about 2.0 at 2.6 angstroms, and the omit density for my > ligands is great contoured at 3.0sigma. My Rcryst is 19 or > so and the Rfree is 24.5 or so. > > > > HOWEVER, my mean B value is 13.9, whereas my other 2 > structures (at 2.2 and 2.3 angstroms, same protein, >95% > completeness) have mean B values of 22+. Any suggestions as > to what is going on here? I'm having trouble explaining > this. > > > > Thank you, > > Jim > > > > > > > > > > > > > Have you used TLS - listed B factors will then be given > relative to the > TLS parameters. You need to run tLSANL to get a more > realistic value. > Eleanor > > > But in fact temperature factors are rather harder to > estimate at lower > resolutions than higher. Look at your <Fo> and > <Fc> curves v resolution > ( part of a REFMAC loggraph) and you can see that sometimes > the overall > scaling struggles to get a reasonable fit..
