[phenixbb] Phenix.refine bonds/angles rmsd

guanrj at foxmail.com guanrj at foxmail.com
Tue Apr 13 14:28:20 PDT 2010


Hello

when I use phenix.refine to refine my structure, the rmsd's of bonds and angles are 
pretty large. My data is 2.3 A resolution.  

REMARK
REMARK ******************** REFINEMENT SUMMARY: QUICK FACTS *******************
REMARK Start: r_work = 0.2838 r_free = 0.2789 bonds = 0.029 angles = 2.002
REMARK Final: r_work = 0.2407 r_free = 0.2466 bonds = 0.029 angles = 2.002
REMARK ************************************************************************
REMARK


I tried many options but none worked so far. Here are the options that I tried:

phenix.refine mtz_file pdb_file strategy=tls tls_group_selections.params wxc_scale=0.3 wxu_scale=0.8

phenix.refine mtz_file pdb_file strategy=tls tls_group_selections.params fix_wxc=0.3 fix_wxu=0.8 

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

These gave the same refinement results. Any suggestions?

Thanks

Rongjin Guan 
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