Sometimes this sort of disorder is due to an error , so the first thing
is to check very carefully that the solution makes sense.
Why are you so sure there are 6 copies in the asymmetric unit?
In situations like this I first worry about SG.
Is there a pseudo-translation vector? This can make it hard to decide on
the SG..
Is there an alternate spacegroup with fewer molecules in the asymm unit?
What does the self rotation show?
Yanming Zhang wrote:
Dear All,
Maybe this is a trivial question:
My data should have 6 molecules in one assymetric unit. MR could find
out 4 molecules. After this, no matter how hard I have tried, no more
molecules can be found. At this stage, I suppose that all other copies
are dis-ordered. And go ahead to do refinement with 4 molecules (ABCD)
available.
The density for A is quite good. But for BCD are very dis-ordered.
Many breaks in chains. I'd like to ask you:
In a situation like this, should I:
A, Use NCS for all copies?
B Do not use NCS at all?
C, Use NCS just for BCD? (even dis-ordered, but similar)?
What is the trick to lower down Rfree as soon as possible, if you have
experienced the same situation before?
Thanks
Yanming
