Re: [ccp4bb] maximum B-factor of metal ion

2010-04-28 Thread Tim Gruene
Hi James, that's difficult to say, especially because the B-factor is strongly correlated with occupancy ("anti-correlated" may be mathematically more sound). If I did my maths correctly a couple of years ago, you still get a contribution to the structure factor above machine accuracy with a B-fa

[ccp4bb] maximum B-factor of metal ion

2010-04-27 Thread james09 pruza
Dear All, What would be the range of B-factor (Maximum temperature factor) for a metal in a protein-metal complex? Thanks in advance for the help. James...