[ccp4bb]: Temperature factor for SE in SE-MET

["J. J. Müller" <jjm@mdc-berlin.de>]

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Dear all-
we solved the structure of a Se-Met derivative (refmac 4.1.1; reso. 1.96
A, Rfree=18, Rwork=15%) with 6 Se inside, and we found always the
temperature factor of Se being larger than for CG and CE in MET. The
differences are not tremendous but significant (e. g. 27 A**2 for SE, 20
for CG and CE).
Is there no restrain by default, or do we make a mistake in refinement?
The Van der Waals radius has
been choosen to
VDWR SE 7 3.8.
All suggestions are appreciated.
Cheers.
Jürgen J. Müller