The residual B factors are only one contribution to the mean square
displacements, so don't read too much into the numbers. In particular,
there is an ambiguity between the trace of T and the mean residual B
factor - you can take a chunk out of Tr(T) and give it to all the atoms
in the TLS group. T
Hello everyone,
I have two structures of a protein bound to two different small molecules I
am trying to refine with REFMAC5 from CCP4 v6.0.0. One has a resolution of
3.2 and the other has a resolution of 2.9. If I use TLS refinement
parameters on these structures I can get the Rwork/Rfree down
