Hi all,<br>I have a number of low-ish resolution data sets that show a strange B-factor behaviour:<br>All are just better than 3AA resolution, collected on a strong synchrotron beamline. Some, yet not tremendous radiation decay.&nbsp; <br>
Wilson scaling, obviously not very reliable at this resolution, gives me a Wilson B of about 40, already a low number. Refinement in refmac5 (5.5.0053) with individual B-factors refinement leads to an average B factor of around 16 with several individual B factors hitting the B=2 limit...<br>
When I convert Is to Fs in truncate simply using the square root, things get even a bit worse, the average B now is 14.<br>When I try to do an overall B-factor refinement, still individual B-factors appear in the output file.<br>
<br>refinement details: 2.8AA resolution,medium ncs for two ncs related chains, no riding hydrogens, simple scaling, MKLF target, isotropic B factors<br>Rwork: 0.206, Rfree=0.286, bonds=0.018, angles=1.89 ... obviously I could retrain a bit more...<br>
<br>Any ideas how to handle this? Basically, my question is: how do I get the overall B factor to realistic numbers?<br>Thanks a lot for any hints<br><br>Jan<br>--<br>Jan Abendroth<br>deCODE biostructures<br>Seattle / Bainbridge Island, WA, USA<br>
work: JAbendroth_at_decode.com<br>home: <a href="http://Jan.Abendroth_at_gmail.com">Jan.Abendroth_at_gmail.com</a><br>