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negative B factors during refinement

Yu Wai Chen ywc at mrc-lmb.cam.ac.uk
Thu Aug 3 11:43:47 EST 2000

Dear all,

I have a data set in P6(1)/P6(5) to 2.0A the processing statistics seems
to be OK: completeness 99.7% (25-2A), Rmerge=8%, mean I/sigI =7.5,

However, when I did CNS refinement: rigid-body, anneal, or bgroup,
whatever I did, it got refined to a negative value and reset to 0.  Can
someone point out what is wrong?  Thanks.

Yu Wai CHEN, Ph.D. ..................   email:ywc at mrc-lmb.cam.ac.uk
 Centre for Protein Engineering,             tel:+44-(0)1223-402148
 MRC Centre, Hills Rd, Cambridge CB2 2QH, UK fax:+44-(0)1223-402140
 WWW homepage: http://www.mrc-cpe.cam.ac.uk/~ywc

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