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[ccp4bb]: Enforcing a sigma(f) cutoff?
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Hello,
I have a general question about refinement with refmac5. I've been
re-solving a protein structure against its structure factors (obtained
from PDB). One consistent difference between my new structure and the
PDB structure is that the PDB structure uses a sigma(f) cutoff of 0.0,
as seen in the REMARK in the pdb file:
REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000
My structure's PDB file, as generated by refmac5, has the line
REMARK 3 DATA CUTOFF (SIGMA(F)) : NONE
For the life in me I cannot figure out how to enforce a sigma(f) cutoff
in refmac5. There are some suggestions (in the archives of ccp4bb)
that such a cutoff can introduce artifacts, as the sigma(f) cutoff
disproportionately affects the weaker reflections. Regardless, I am
suspicious that this cutoff accounts for the slightly higher R and
R-Free values (~ 2%) of my new structure. Is this a reasonable
interpretation? If so, how can I enforce a sigma(f) data cutoff?
Thanks,
Mark
Mark DePristo
Ph.D. Candidate
Dept. of Biochemistry
Cambridge University
mdepristo@cryst.bioc.cam.ac.uk
http://www-cryst.bioc.cam.ac.uk/~mdepristo/