Re: [ccp4bb] Sulfate ion on 2-fold axis

Protein crystallography Programs for crystallography X-ray detectors
Basic tutorials:
Protein Peptide

CCP4bb navigation

CCP4bb <-- 2008 <-- January 2008 <-- 09 January 2008

Previous message:
Subject: Re: Malic Acid interferes heavy metal binding?
From: William Scott wgscott {- at -} CHEMISTRY {- dot -} UCSC {- dot -} EDU
Date: 2008-01-09

Next message:
Subject: unbiased electron density map
From: michael nelson gnomenm {- at -} YAHOO {- dot -} COM
Date: 2008-01-09

Subject: Re: Sulfate ion on 2-fold axis
From: Charlie Bond Charles {- dot -} Bond {- at -} UWA {- dot -} EDU {- dot -} AU
Date: 2008-01-09

Hi Jie,
Depending on your resolution, you may be forced use to use S(0.5) and
4x(0.5) in order to restrain the SO4 to stay tetrahedral in refinement.
Cheers,
Charlie

Jie Liu wrote:
> Dear all
>
> I have a sulfate ion sitting on a 2-fold axis. Should I put in pdb file
> one S atom with occu=0.5 and two O atoms with occu=1, or should
> I put one S and four O atoms all with occu=0.5?
>
> Thanks for your inputs.
>
> Jie
>
> .
>

--
Charlie Bond
Professorial Fellow
University of Western Australia
School of Biomedical, Biomolecular and Chemical Sciences
M310
35 Stirling Highway
Crawley WA 6009
Australia
Charles.Bond@uwa.edu.au
+61 8 6488 4406

CCP4bb navigation

CCP4bb <-- 2008 <-- January 2008 <-- 09 January 2008

Previous message:
Subject: Re: Malic Acid interferes heavy metal binding?
From: William Scott wgscott {- at -} CHEMISTRY {- dot -} UCSC {- dot -} EDU
Date: 2008-01-09

Next message:
Subject: unbiased electron density map
From: michael nelson gnomenm {- at -} YAHOO {- dot -} COM
Date: 2008-01-09