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<DIV>Hello</DIV>
<DIV> </DIV>
<DIV>when I use phenix.refine to refine my structure, the rmsd's
of bonds and angles are </DIV>
<DIV>pretty large. My data is 2.3 A resolution. </DIV>
<DIV> </DIV>
<DIV>REMARK<BR>REMARK ******************** REFINEMENT SUMMARY: QUICK FACTS
*******************<BR>REMARK Start: r_work = 0.2838 r_free = 0.2789 bonds =
0.029 angles = 2.002<BR>REMARK Final: r_work = 0.2407 r_free = 0.2466 bonds =
0.029 angles = 2.002<BR>REMARK
************************************************************************<BR>REMARK<BR></DIV>
<DIV> </DIV>
<DIV>I tried many options but none worked so far. Here are the options that
I tried:</DIV>
<DIV> </DIV>
<DIV>phenix.refine mtz_file pdb_file strategy=tls
tls_group_selections.params wxc_scale=0.3 wxu_scale=0.8</DIV>
<DIV> </DIV>
<DIV>phenix.refine mtz_file pdb_file strategy=tls
tls_group_selections.params fix_wxc=0.3 fix_wxu=0.8 </DIV>
<DIV> </DIV>
<DIV>phenix.refine mtz_file pdb_file strategy=tls
tls_group_selections.params fix_wxc=0.3 fix_wxu=0.8 optimize_wxc=false
optimize_wxu=false</DIV>
<DIV> </DIV>
<DIV>These gave the same refinement results. Any suggestions?</DIV>
<DIV> </DIV>
<DIV>Thanks</DIV>
<DIV> </DIV>
<DIV>Rongjin Guan </DIV>
<DIV> </DIV>
<DIV><BR> </DIV></FONT></BODY></HTML>