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
