Yes - I have had a similar problem..
We need a reply from Garib..
Eleanor
Alasdair K. Mackenzie wrote:
> 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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