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
lmtho...@ou.edu
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
lmtho...@ou.edu
http://barlywine.chem.ou.edu
Office: (405)325-1126
Lab: (405)325-7571