Greetings CCP4-ers,

I have been running some TLS refinement which does wonders for my R/Rfree
values, but seems to give some spurious Bfactors/ADPs for the waters, e.g.
B= 2.

These low Bfactors appear relatively consistent with the residual protein
B-factors (i.e. the pdb output from REFMAC), but when i use TLS analyse to
apply the TLS contribution to the total B-factors for the model, the low
water B values seem crazy.......i apparently have a water with a B-factor
of 2 interacting with a side chain with a B-factor of 60............

Has anyone encountered this type of thing before? and does anyone have a
good solution for getting around the problem?

cheers,
Al

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