[sharp-discuss] Extending 3.9A phases to 2.6
Frank von Delft
frank.vondelft at sgc.ox.ac.uk
Fri Nov 16 11:51:26 GMT 2007
Hi
I'm sitting with a slightly tricky one here, Se-MAD phases to 3.9,
native to 2.6 (peak,remote,native). HA refinement runs very stably,
substructure is complete and all that, now I'm trying to get the phases
extended to 2.6A, and wanted to ask if there tips for the best solvent
flattening.
1) Solvent content by matthews should be 76% (enough Se for 1 mol/ASU),
but I(4) looks better at 50%, as does I(4)/I(1) (which is what solvent
optimization uses). Is this usual?
2) I don't see too much difference between the two hands, both for I(4)
and I4/I1; does this mean I have not in fact solved the substructure,
or just that the phase extension is struggling?
3) The envelope looks a bit cleaner for P4132 than P4332, but I don't
really see protein-like features (the odd sheet or helix would be nice).
What are the main parameters to play with? I do a DM run first every
time, because the sharp maps don't show much info either.
Any tips would be very useful; I scoured the manual but maybe missed the
useful bits.
Cheers
phx
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