Hello All,
Follow up on the problem. With some help from Randy Read, it was
discovered that the sequence file had four chains designated which was
causing the problem. I found out later from the researcher whose
project this is that the structure they were using had 4 copies in the
asymmetric unit vs. one for the crystal that they were now working
with. Lesson learned make sure your sequence files have the proper
number of copies that you expect.
Cheers,
Len
Leonard Thomas Ph.D.
Macromolecular Crystallography Laboratory Manager
University of Oklahoma
Department of Chemistry and Biochemistry
Stephenson Life Sciences Research Center
101 Stephenson Parkway
Norman, OK 73019-5251
[log in to unmask]
http://barlywine.chem.ou.edu
Office: (405)325-1126
Lab: (405)325-7571
On Apr 25, 2012, at 5:04 PM, Leonard Thomas wrote:
> Hello All,
>
> We have run into a problem running Phase under both CCP4 and
> Phenix. Specifically with the Matthews calculation, which then
> causes Phaser to look for something different then what we want.
> The input space group is R3:H after processing. The input
> molecular weight of the model is ~16000 but Phaser for some reason
> thinks it is ~65000. The strait Mathews calculation through CCP4
> comes up with 2 molecules in the asymmetric unit with 51% solvent.
> Phaser is coming up with a solvent content of 5.2% for one molecule,
> though it thinks the molecule is 65000 Da. The pdb file only has
> coordinates in it. Anybody else run into this problem?
>
> We were able to get a good solution using MolRep and it turns out to
> be 2 molecules in the symmetric unit in R32:H. If you input R32:H
> into Phaser it blows up.
>
> Regards,
> Len
>
> Leonard Thomas Ph.D.
> Macromolecular Crystallography Laboratory Manager
> University of Oklahoma
> Department of Chemistry and Biochemistry
> Stephenson Life Sciences Research Center
> 101 Stephenson Parkway
> Norman, OK 73019-5251
>
> [log in to unmask]
> http://barlywine.chem.ou.edu
> Office: (405)325-1126
> Lab: (405)325-7571
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