[phenixbb] Mg is driving me crazy
luzuokun at 126.com
Mon Aug 8 19:38:37 PDT 2016
Have you placed water molecules around the magnesium? It's a coordination complex.
Lu Zuokun, Ph.D. Candidate
College of Life Science, Nankai University
在 2016-08-04 22:00:35，"Almudena Ponce Salvatierra" <maps.farma at gmail.com> 写道：
I am refining a structure that showed two positive peaks larger than 8 sigma. I assigned them as Mg ions, since I have them in the crystallization condition and also because it make sense, according to where they are located.
However when I refine there's still all this green blob around the already properly placed Mg ions. I don't know why, they don't show large thermal factors or anything suspicious...
I'm refining individual sites, individual adps, and TLS groups.
The resolution I am talking about is 2.5 A.
Any thoughts on this?
Thank you very much
Macromolecular crystallography and Nucleic acid chemistry
Max Planck Institute for Biophysical Chemistry
Am Fassberg 11 37077 Göttingen
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