Hi - I think it has to be the high ones - TLS "B" values are only relative to the overall TLS set. what happens to the B values if you do refinement without TLS? Eleanor
On Tue, 7 Apr 2020 at 13:17, Nicholas Keep <[email protected]> wrote: > 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 > > ######################################################################## > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 > ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
