<div>Hi, this may not be a new problem, but I tried every stretagy that I know from bb, but the geometry is still very bad. So I wish I can get some help from here.</div>
<div>Crystal information:</div>
<div> SAD data. Resolution 3.0. There is no anisotropy in the data. </div>
<div> R/Rfree : 22.7/26.8 (Rfree-flag is always from the Refine_data.mtz file generated after the first refinement.) </div>
<div> RMS(bonds):0.02<br> RMS(angles): 1.453<br> Ramachandran outliers: 3.0%<br> Ramachandran favored: 91.2%<br> Rotamer outliers: 18.7% !!<br> Clashscore: 31.84<br> overall score: 3.47<br> I tried different strategies, like autobuild and then refine; set wxu/wxc=0.3/0.3; turn on "Ramachandran restrains", "fix bad sidechain romaters"etc, however the paramters are still very bad, especially the rotamer outliers. Then I rebuild them manually in coot,after refinement the parameters are even worse.<br>
</div>
<div>p.s. phenix version: phenix-1.7.3-dev-1046. <br></div>
<div>Thank you very much!</div>
<div> </div>
<div>best,</div>
<div>Sarah</div>