[ccp4bb] TLS refinement

- Protein crystallography

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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: express large proteins in E. coli?
From: David Garboczi dgarboczi {- at -} NIAID {- dot -} NIH {- dot -} GOV
Date: 2009-03-03

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Subject: Re: TLS refinement
From: Ethan A Merritt merritt {- at -} U {- dot -} WASHINGTON {- dot -} EDU
Date: 2009-03-03

Subject: TLS refinement
From: "Nalam, Madhavi" Madhavi {- dot -} Nalam {- at -} UMASSMED {- dot -} EDU
Date: 2009-03-03

Hello:
I am trying to refine a structure at 3 A resolution using TLS refinement. After 8-10 cycles of TLS refinement, R-free and R-factor converges. But R-free starts going up again from the first round of restrained refinement. My question now is can I stop just after TLS refinement without doing any restrained refinement? If so, the PDB file contains ANISOU cards for the atoms. Does this mean anisotropic refinement is performed on the atoms which should not be the case for a 3 A structure?
Thanks in advance,
Regards,
Madhavi

________________________________

From: CCP4 bulletin board on behalf of Edward A. Berry
Sent: Tue 3/3/2009 5:39 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] shape complementarity calculations - oops!

Oganesyan, Vaheh wrote:

> Among non-runnable programs in CCP4 there is the sc program that indeed
> does not run.
>

Sorry, I didn't see the rest of your post.
I had sc running and producing meaningful results back in 2006-2007,
I can check which version etc.

Ed

CCP4bb navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: express large proteins in E. coli?
From: David Garboczi dgarboczi {- at -} NIAID {- dot -} NIH {- dot -} GOV
Date: 2009-03-03

Next message:
Subject: Re: TLS refinement
From: Ethan A Merritt merritt {- at -} U {- dot -} WASHINGTON {- dot -} EDU
Date: 2009-03-03