[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

Re: [ccp4bb]: B factors

To: Aleks Roszak <aleks@chem.gla.ac.uk>
Subject: Re: [ccp4bb]: B factors
From: "Eleanor J. Dodson" <ccp4@ysbl.york.ac.uk>
Date: Tue, 17 Dec 2002 20:11:32 +0000
CC: eaberry@lbl.gov, "ccp4bb@dl.ac.uk" <ccp4bb@dl.ac.uk>
Organization: Structural Biology Lab. , Dep. Of Chemistry, University of York
References: <3DFA0973.D2E63A82@mail.csb.yale.edu> <3DFA2AB5.3010809@lbl.gov> <10212171719.ZM10005@canna.chem.gla.ac.uk>
Reply-To: E.Dodson@ysbl.york.ac.uk
Sender: owner-ccp4bb@dl.ac.uk

***  For details on how to be removed from this list visit the  ***
***          CCP4 home page http://www.ccp4.ac.uk         ***

Aleks Roszak wrote:
> 
> So when you run TLS refinement, and the correlated thermal motion is high, you
> get residual B's, and the average B, quite low. Those B's are listed in the pdb
> file and may suggest, for readers who are unaware about the TLS refinement,
> that the B's are somewhat too low for the given resolution.
> 
> My examples:
> Resolution 2.5A, Wilson plot B = 57, average B from TLS refinement = 33
> Resolution 2.7A, Wilson plot B = 54, average B from TLS refinement = 24
> 


 You are right to warn people,. but these may be residual B factors to
be added to the TLS parameters - if you want some more realistic
estimates of individual B factors you may need  to run TLSANL...


 Eleanor Dodson

References:
- [ccp4bb]: B factors
  - From: gina clayton <clayton@mail.csb.yale.edu>
- Re: [ccp4bb]: B factors
  - From: Edward Berry <eaberry@lbl.gov>
- Re: [ccp4bb]: B factors
  - From: "Aleks Roszak" <aleks@chem.gla.ac.uk>

Prev by Date: [ccp4bb]: Patches for CCP4 4.2.2
Next by Date: [ccp4bb]: Grasp surface
Prev by thread: Re: [ccp4bb]: B factors
Next by thread: Re: [ccp4bb]: B factors
Index(es):
- Date
- Thread