Hi all,
I am working with a 2.5 Å resolution structure with Wilson B factor 37,5
Ų. It is already 100 % built but after the TLS refinement the average B
factor was quiet low (4.6 Ų) and of course also the B factors for each
atom were also very low. For that reason I ran TLSANL program to restore
the total B factor. For each of the atoms the B factors are now around
22-80 Ų but the average B (at the PDB file header) was not updated
(still 4.6). So, I reran Refmac, ( either TLS & restrained refinement or
restrained refinement with Fix TLS parameters). After this the average B
factor is now 24 Ų what seems ok, but I did this blindly and I am
afraid I am doing something wrong by over doing the TLS refinement or
whatever.
Any help will be more than appreciated.
Thanks a lot in advanced.
Best regards,
Ariel
--
Ariel Talavera, Lic.
Dept. of Computational and Structural Biology
Center of Molecular Immunology
P.O.Box 16040, Havana 11600
Cuba
tel: (53-7) 271 7933, ext. 219
fax: (53-7) 272 0644
email: [EMAIL PROTECTED]
