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This looks fine to me. You cannot *really* predict what B-factors to expect before refining the structure. Provided that other things look good (and they seem to) - you just have a structure that's more disordered than average... Artem ----- Original Message ----- From: Frederico Moraes Ferreira <[EMAIL PROTECTED]> Date: Friday, March 17, 2006 12:49 pm Subject: [ccp4bb]: hi b-factor on refmac refinement To: CCP4 bulletin board <[email protected]> > *** For details on how to be removed from this list visit the *** > *** CCP4 home page http://www.ccp4.ac.uk *** > > > hi everybody, > I've got too hight B-factors for main chain atoms > on refinement with refmac - the latest version. > The refinement > settings are essentially the defaults from GUI. > Reset B-factors to 20.00 or to > 0.00 didn't help anything. I was waiting main > chains Baves around > 10-20 and Bmins around 5-10 (see results bellow). > Is there something else > to do? Clues are appreciated. > Thanks in advance, > fred > > > MOLEMAN2 > sel and cla main > AND atom selection > With atoms for which : (CLA) > Equals : (MAIN) > Selection history : (NON-HYDROGEN | AND CLass = > Main |) > Nr of selected atoms : ( 2816) > MOLEMAN2 > bf st > Chain name Atoms Bave Bsdv Bmin > Bmax Brms Bharm.av > A<-> 1496 27.06 4.54 > 21.15 48.39 27.44 26.45 > B<-> 1320 27.83 4.73 > 20.35 51.10 28.23 27.18 > Nr of chains encountered : ( 4) > > >
