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Thanks to all who replied to my indexing question; I think I have the problem sort of figured out now. Either I get better crystals, or I try refining in a large P21 cell. (Hopefully the former.)
If I'm stuck in P21, I have four molecules in the ASU, which are almost exactly crystallographically related. I've been warned that NCS in these cases risks essentially cross-refining the Rfree set. I've also seen reference to picking an Rfree set carefully to avoid this. I guess picking thin resolution shells was the old way, but I also saw a reference to SFTOOLS doing something more precise and picking specific refletions that would be related by my NCS operators. Or something like that. Can anyone explain this further?
