I am at the point of depositing a low resolution (3.15 A) structure
refined with REFMAC. The average B factors were 31 before I added the
TLS contribution as required for deposition which raised them to 157-
this is flagged as a problem with the deposition, although this did not
stop submssion. The estimated Wilson B factor is 80.5 (although that
will be quite uncertain) so somewhere between these two extremes.
Is it only the relative B factors of the chains that is at all
informative? Should I report the rather low values without TLS
contribution or the rather high ones in any "Table 1"? Comments
appreciated.
Thanks
Nick
--
Prof Nicholas H. Keep
Executive Dean of School of Science
Professor of Biomolecular Science
Crystallography, Institute for Structural and Molecular Biology,
Department of Biological Sciences
Birkbeck, University of London,
Malet Street,
Bloomsbury
LONDON
WC1E 7HX
Dean Email; [email protected]
Dept email [email protected]
Telephone 020-7631-6852 (Room G54a Office)
020-7631-6800 (Department Office)
Fax 020-7631-6803
If you want to access me in person you have to come to the crystallography
entrance
and ring me or the department office from the internal phone by the door
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