These are B factors RELATIVE to your TLS parameters.
You need to run tlsanl to get back to something comparable to the
individual B factors..
Eleanor
CRAIG MCELROY wrote:
Hi all,
I'm working on the structure of a heterodimer phased by molecular replacement
using data to 2.9 angstroms. After MR I performed a rigid body refinement in
CNS, if I then refine using mlf in CNS I get B-factors ranging from ~37-119
and r= 0.26 free_r= 0.35 whereas if I perform a TLS restrained refinement in
refmac (with each monomer of the heterodimer as a TLS group or with one of the
monomers divided into two TLS groups based on tlsmd) I get B-factors ranging
from ~2-48 and r= 0.22 free_r= 0.28. Based on the R values it certainly seems
like the TLS refinement is better, but the B-factors from the TLS refinement
seem artificially low and the ones from CNS seem too high. The maps from the
TLS refinement also look much better with less breaks in the density and less
difference density. I'm wondering if this is typical and what I should do to
diagnose/fix the problem.
Thanks
Craig
