, 0,5 and so on..
But in fact B factors and occupancies are highly correlated, and
you would probably expect a ligand soaking in after crystallisation
to have higher B factors, so it is very difficult to get a
definitive answer.
Eleanor
nkamiya wrote:
Dear all,
This is my first mail to
Dear all,
This is my first mail to CCP4BB.
I'm now refining crystal structures of an enzyme at a resolution of
1.5A using refmac5 through CCP4i. Before X-ray data collections,
the substrate and co-factor ions were soaked into the crystals. Their
occupancies seem to be less than the unity because
