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