[phenixbb] bulk solvent mask question
Laurie Betts
laurie.betts0508 at gmail.com
Fri Sep 16 10:34:01 PDT 2011
I notice that during refinement of a MR solution for a protein (search model
is 100% homologous to target), a very large ligand-binding cavity (as much
as 20 A wide in some parts) in my protein gives weak positive difference
density for a ligand soaked into the crystals, unless I turn off bulk
solvent modeling. Then the fo-fc difference density is quite strong (2.6
Angstrom data). I think this is due to part of the cavity being included in
bulk solvent?
Can I edit the mask easily, or flag parts of the protein as NOT exposed to
solvent?
Thanks
Laurie Betts
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