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Hello all,

I believe I have a P41 perfectly twinned as a P41 21 2. I'm using the  
detwin_perfect.inp in CNS in every round of refinement to detwin the  
original P41 data as I update the single molecule in my asymmetric  
unit (so far).

[1] Should I be able to find the second molecule (from reducing the  
symmetry from P41 21 2 to P41). Would it be clear as day considering  
my first molecule is nearly 90% built?  Phaser MR gave two solutions  
in P41 when searching for one molecule in the asu. The LLG is nearly  
identical. Are these the two twins of my crystal? Should I merge them,  
detwin, refine and completely rebuild?


[2] Should I be using NCS constraints?

[3] Would refining with a twin operator on the detwinned P41 data  
(using phenix.refine) be helpful?


Thanks!

FR

---------------------------------------------
Francis Reyes M.Sc.
215 UCB
University of Colorado at Boulder

gpg --keyserver pgp.mit.edu --recv-keys 67BA8D5D

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