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<p>Hello,</p>
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<p>I have many Osmium ions in my structure. They have 6 coordinated ammonium groups and I would like to refine the B-factors for them: one B-factor for Os in each residue and one B-factor for all 6 ammonium groups in each residue.
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<p>For this I have chosen *group_adp with following syntax</p>
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<p> adp {<br>
group_adp_refinement_mode = one_adp_group_per_residue \<br>
two_adp_groups_per_residue *group_selection<br>
group = chain O and element Os<br>
group = chain O and element N<br>
}<br>
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<p>I wanted to refine only B-factor for Osmiums in this refinement. To avoid the bias from previously refined values of B-factor I presetted B-factors for all Osmiums to 50.<br>
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<p>As a result I got the change of B-factors for all residues in the model to the same value (which probably means that all model was refined as one group) and R-free increased from 0.25 to 0.34.</p>
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<p>What should be the correct syntax for this refinement?</p>
<p>Should I also refine ions coordinates for a good refinement of B-factors?</p>
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<p>Irina<br>
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