Hi phenix users,<div><br></div><div>I have two questions when using Phenix Refinement.</div><div><br></div><div>1. I&#39;d like to run phenix refinement with twin data but I don&#39;t know how to define twin_law using GUI Phenix refinement module in Linux.</div>
<div><br></div><div>2. I used phenix refinement in Windows to refine a 2.3A structure. My problem is the Rfree is quite high.</div><div><br></div><div>- I applied twin refinement + TLS + NCS and SA refinement (wxu_scale = 1)</div>
<div><div>Start: r_work = 0.2149 r_free = 0.2833 bonds = 0.016 angles = 1.988</div><div>Final: r_work = 0.2029 r_free = 0.2735 bonds = 0.008 angles = 1.448</div><div><br></div><div>- Then I use auto-weight to optimize the Rfree. </div>
<div><br></div><div>optimize_xyz_weight = True</div><div><div>optimize_adp_weight = True</div><div>wxc_scale = 0.5</div><div>wxu_scale = 1</div></div><div><br></div><div><div>Start: r_work = 0.2152 r_free = 0.2735 bonds = 0.008 angles = 1.322</div>
<div>Final: r_work = 0.2309 r_free = 0.2781 bonds = 0.003 angles = 0.848</div></div><div><br></div><div>I think the bond rmsd and angle rmsd were too small in this final refinement. Do you think it&#39;s normal or I need to try more? Thank you very much for your helpful input.</div>
<div><br></div><div>Best wishes,</div><div>-- </div><div><b><span style="font-size:x-small"><div><span style="font-weight:normal;font-size:small"><b><span style="font-size:x-small">TriNgo</span></b></span></div></span></b><blockquote style="margin:0 0 0 40px;border:none;padding:0px">
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