On 05/21/2015 05:23 PM, Keller, Jacob wrote:
I can process my 3.8 A dataset in either P4 or P422 point groups.
Do the scaling statistics look similar for both? If so, go with P422.
Trying to enforce an incorrect symmetry operator would blow up your stats.
...But in the case of twinning, lower space groups can masquerade as higher
ones. I say try out P4 with twin refinement, see how your stats go.
JPK
Or eventually even to further lower symmetry... I had once an example of
true P21212 crystals that processed nicely as P4212, due to a twinning
two-fold axis parallel to the a,b diagonal
Carlos
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Dr. Carlos Frazao
Structural Biology Laboratory -
Macromolecular Crystallography Unit
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