[ccp4bb] Low resolution model building

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

Previous message:
Subject: Re: Superdex 200 PC columns
From: Miguel Ortiz-Lombardia molatwork {- at -} YAHOO {- dot -} ES
Date: 2007-05-12

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Subject: S-tagged protein purification
From: "Y {- dot -} -F {- dot -} Li" yongfuli {- at -} GMAIL {- dot -} COM
Date: 2007-05-12

Subject: Low resolution model building
From: "Kolstoe S {- dot -} E {- dot -} " S {- dot -} E {- dot -} KOLSTOE {- at -} SOTON {- dot -} AC {- dot -} UK
Date: 2007-05-12

Dear ccp4bb,

I am about to start model building a fairly low resolution structure (3A) with ten identical monomers in the asu, solved using MR. What I am thinking of doing is to build one monomer using some form of averaged NCS map, replicate and translate my one built monomer into the other nine positions, and then refine in refmac with tight NCS restraints. But I have a couple questions:

1) Is this a sensible approach at this resolution?

2) Which programs would people suggest I use for the ncs calculations, map averaging and final replication of my built monomer into the other nine positions? I see coot has an "ncs maps" function, but I also see a number of usf and ccp4 programs that all seem to do similar things. I am also confused as to the different formats that ncs operators seem to come in, and which programs read which formats. Could anyone suggest a "road-map" of programs I could use that would accept each others outputs and hence accomplish this feat?

Thanks,

Simon

CCP4bb navigation

CCP4bb <-- 2007 <-- May 2007 <-- 12 May 2007

Previous message:
Subject: Re: Superdex 200 PC columns
From: Miguel Ortiz-Lombardia molatwork {- at -} YAHOO {- dot -} ES
Date: 2007-05-12

Next message:
Subject: S-tagged protein purification
From: "Y {- dot -} -F {- dot -} Li" yongfuli {- at -} GMAIL {- dot -} COM
Date: 2007-05-12