[phenixbb] Mg is driving me crazy

Almudena Ponce Salvatierra maps.farma at gmail.com
Thu Aug 4 07:00:35 PDT 2016

Dear all,

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

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

Best wishes,

Almudena Ponce-Salvatierra
Macromolecular crystallography and Nucleic acid chemistry
Max Planck Institute for Biophysical Chemistry
Am Fassberg 11 37077 Göttingen
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