Subject: | | AW: [ccp4bb] accept MR solution even if the number of clashes is above the threshold |
From: | | [log in to unmask][log in to unmask], 9 Jul 2015 11:37:05 -0600566_UTF-8 Hi Dilip,
More information is needed regarding the crystallization condition(s). Anyway, Mg2+ ions are always (most of the time) are surrounded by water molecules in their primary hydration sphere...(typical distance should be 2.2 A, if I remember correctly)...and the typical geometry would be octahedral (could be distorted sometime)...or very rarely tetrahedral (we found once..)..Try fitting Mg2+ along with waters...keeping the proper metal water distances and the coordination geometry...and then refine..Good luck...!!! [...][log in to unmask] |
Reply-To: | | [log in to unmask][log in to unmask], 10 Jul 2015 17:27:09 +0000252_iso-8859-1 Hi,
Is it possible to convert a map to structure factors using Phenix? Thanks.
Best wishes,
Reza
Reza Khayat, PhD Assistant Professor City College of New York Department of Chemistry New York, NY [log in to unmask] |
Date: | | Thu, 2 Jul 2015 13:15:58 +0000 |
Content-Type: | | multipart/alternative |
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