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
