rerun truncate with input amplitudes..
eleanor
James Pauff wrote:
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: CCP4BB@JISCMAIL.AC.UK
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..
