[ccp4bb]: b-factors, tls-refinement

[Dirk Reinert <reinert@uni-freiburg.de>]

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hi all,
i am trying out tls-refinement after refinement in cns remained static. (the 
statistics for the dataset i am using are excellent and the resolution limit 
is 2.1 a.) the r-factors (in cns) were about 24 (r) and 28 (rfree) and the 
b-factors for the different chains in asu were around 45. after doing 
tls-refinement in refmac5 r and rfree dropped by 5%, respectively, and the 
total bs for two of the chains are now about 80 (!). has anyone experienced 
such an increase of the b-factors or has any comments on that, as i am a bit 
worried on the correctness of what i am doing.
thanks in advance, dirk.

-- 
Dirk Reinert
Universität Freiburg (FRG)
Institut für Organische Chemie und Biochemie
Alberstr. 21
D-79104 Freiburg

Phone:  +49 761 2036088
Fax:    +49 761 2036161