[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


Laurie Betts
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://phenix-online.org/pipermail/phenixbb/attachments/20110916/08731906/attachment.htm>

More information about the phenixbb mailing list