Hello,
I refined my structures using REFMAC5 ( using TLS in combination ). When i used the SF-Check
program, my R-values are ~5% higher than in those reported by refmac. Is this
due to the fact that SF-check does bulk solvent calculations differently and
does not account for TLS refinement?
Also, when i used TLSANL to put in my total B factor in the pdb file I only get
3 sets of numbers instead of( what i expected) 6 sets(ie. last three entries have values="0").
For example:
ATOM 246 C6 DA C 13 -29.692 15.902 14.379 1.00 36.42 C
ANISOU 246 C6 DA C 13 3267 5459 5110 0 0 0 C
Cheers
Rakesh
Graduate student
Purdue University
|