Re: [ccp4bb] xds process gave different cell parameters

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

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Subject: xds process gave different cell parameters
From: Jane Bailey jbailey {- dot -} xtal {- at -} GOOGLEMAIL {- dot -} COM
Date: 2010-01-05

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Subject: Re: xds process gave different cell parameters
From: harry {- at -} MRC-LMB {- dot -} CAM {- dot -} AC {- dot -} UK harry {- at -} MRC-LMB {- dot -} CAM {- dot -} AC {- dot -} UK
Date: 2010-01-05

Subject: Re: xds process gave different cell parameters
From: Vellieux Frederic Frederic {- dot -} Vellieux {- at -} IBS {- dot -} FR
Date: 2010-01-05

Nothing wrong with that approach in principle. You may want to have a
few cycles of rigid body refinement before classical refinement. Just in
case (but the cell parameters are very very close indeed). And the
starting Rfactors should tell you if there is a problem or not.

Fred.

Jane Bailey wrote:
> Hi
>
> I was processing my data with XDS several runs, they gave slightly
> different cell parameters everytime, eg:
> 1) 77.100 103.850 116.550 90.00 90.00 90.00 P 21 21 21 2)
> 77.086 103.821 116.533 90.00 90.00 90.00 P 21 21 21
>
> I have already a refined model from 1), can I use this model to
> refine against dataset 2) by simply change the cell parameter in the
> pdb file? There's nothing wrong with dataset 1), just wonder whether
> it is doable .
>
> Many thanks
> Jane

CCP4bb navigation

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

Previous message:
Subject: xds process gave different cell parameters
From: Jane Bailey jbailey {- dot -} xtal {- at -} GOOGLEMAIL {- dot -} COM
Date: 2010-01-05