Dear Phenix Community,<br><br>I am preparing my structure for deposition and ran it through the Generate "Table 1" function in phenix. The inputs I gave it were my .mtz structure factors file, the final pdb coordinate file, and the log file from hkl2000. I did not provide unmerged data. <br>
<br>My pdb file (which had been refined using phenix.refine) had values of r_work=0.2342 r_free=0.2603<br>However, phenix.model_vs_data (from Generate "Table 1") gave me r_work=0.2940 r_free=0.3150<br><br>I also got this warning about resolution limits, but I think it should not have affected the R-free calculation to this extent:<br>
<div style="margin-left:40px">WARNING: Resolution limits in scaling log for structure<br>�������������� A549T<br>������������ are inconsistent with resolution limits in the MTZ file:<br>������������ 50.00 - 3.02 (in logfile)<br>
������������ 48.47 - 3.03 (in MTZ file)<br></div><br>When I refined my model in phenix, I used the twin law h,-h-k,-l. I read in the documentation that twinning can account for some of this discrepancy, but that the program is supposed to take twinning into account if it will lower the calculated R-work by more than 2%, which it doesn't seem to have done (or there is some other problem with my data).<br>
<br>Thanks for your help!<br><br>-Sam<br>