Re: [ccp4bb] SAD question

Protein crystallography Programs for crystallography X-ray detectors
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CCP4bb <-- 2007 <-- April 2007 <-- 12 April 2007

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Subject: Re: number of residues for converting intensities to sf for a protein/DNA complex
From: Phil Evans pre {- at -} MRC-LMB {- dot -} CAM {- dot -} AC {- dot -} UK
Date: 2007-04-12

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Subject: Calculating apolar/polar surface area
From: "Ibrahim M {- dot -} Moustafa" I {- dot -} moustafa {- at -} PSU {- dot -} EDU
Date: 2007-04-12

Subject: Re: SAD question
From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2007-04-12

John Bruning wrote:
>
> Hi,
>
> I have some questions regarding SAD. Can one use Scaleit to initially
> analyze anomolous data when doing SAD (ie to get the scaleit.summary
> statistics)? How does one properly prepare the flags and mtz file for
> SAD (ie what program to convert the sca file to mtz and properly; I am
> coming from scalepack where I used the anomalous button clicked on)?
>
> Thanks
>
>
1) To get an mtz file just convert merged data - it will output
h k l Fmean SIGFmean Dano SigDano F+ SigF+ F- SIGF- Imean etc

Then you can run scaleit giving
FP and FPH1=Fmean

DPH1=DANO etc

From the GUI say you also want to
include anomalous data for each derivative
That allos you to inspect the diffs between F+ and F-

Eleanor

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CCP4bb <-- 2007 <-- April 2007 <-- 12 April 2007

Next message:
Subject: Calculating apolar/polar surface area
From: "Ibrahim M {- dot -} Moustafa" I {- dot -} moustafa {- at -} PSU {- dot -} EDU
Date: 2007-04-12