Dear Dom.
Yes, Zanuda must also give more insights, well pointed (it goes
straight to my question "Should I look at anything else to establish
twin P1 is the best way to refine this structure?"). By the way, though
we have not gone through P1 in/extensively for while, a brief overview
has indicate some (new, but few, for while) side chains that, although
not all that ordered, must have preferential conformations.
Yours,
J.
On 7/23/22 5:55 AM, Dom Bellini wrote:
Hi Jorge,
Should I look at anything else to establish twin P1 is the best way
to refine this structure?
You could feed your refined model and map coefficients to Zanuda (CCP4
program) which automatically will check which higher symmetry space
group will give lower Rfactors in refinement, pointing to real crys
symmetry (similarly to what you have been doing manually).
Good luck!
D
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