On 13 Dec 2007, at 22:36, Yue Li wrote:
Hi all,
When I refined one of my structures in refmac and cns, I found some
water
molecules having low B factor (i.e < 10). Should I omit these water
molecules from the structure ?
Definitely do not omit them !!!
But, check your buffer and think if they can be instead ions, judging
from the buffer contents and
the geometry.
For example, 'waters' with low B factors and about 3.4 A from the
protein are most likely SO4 from
an ammonium sulphate crystallization ...
Tassos
The overall B factor is 35.3
Thanks
Simon
