<html><head><meta http-equiv="Content-Type" content="text/html charset=us-ascii"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;"><div>Hi, </div><div>I used Phenix, build 2037 to refine a a new structure. I reran the refinement (with the identical parameters) in build 2155 (v1.10.1) and obtained different statistics and slightly worse geometry. Any idea why? </div><div><br></div><div>In <b>2037</b>:</div><div> <font face="Courier"> start final<br> ---------------------------------------<br> R-work: 0.2488 0.2244<br> R-free: 0.3003 0.2851<br> RMS(angles): 1.67 0.80<br> RMS(bonds): 0.020 0.004<br><br></font></div><div><font face="Courier"> Ramachandran outliers: 1.2% (Goal: < 0.2%)<br> Ramachandran favored: 94.5% (Goal: > 98%)<br> Rotamer outliers: 8.7% (Goal: 1%)<br> C-beta outliers: 0 (Goal: 0)<br> Clashscore: 3.14<br> Overall score: 2.19</font></div><div><br></div><div><b>2155</b></div><div><br></div><div><div><font face="Courier"> start final</font></div><div><font face="Courier"> ---------------------------------------</font></div><div><font face="Courier"> R-work: 0.2488 0.2331</font></div><div><font face="Courier"> R-free: 0.3003 0.2856</font></div><div><font face="Courier"> RMS(angles): 1.77 0.72</font></div><div><font face="Courier"> RMS(bonds): 0.020 0.004</font></div><div><font face="Courier"><br></font></div><div><font face="Courier"><div> Ramachandran outliers: 1.4% (Goal: < 0.2%)</div><div> Ramachandran favored: 93.4% (Goal: > 98%)</div><div> Rotamer outliers: 9.4% (Goal: 1%)</div><div> C-beta outliers: 0 (Goal: 0)</div><div> Clashscore: 4.10</div><div> Overall score: 2.36</div></font></div><div apple-content-edited="true">
<div><span style="font-family: monospace;">_________________________________</span><br style="font-family: monospace;"><span style="font-family: monospace;">Mark A. Saper, Ph.D.</span><span class="Apple-tab-span" style="font-family: monospace; white-space: pre;"> </span><br style="font-family: monospace;"><span style="font-family: monospace;">Associate Professor of Biological Chemistry, </span><span style="font-family: monospace;">University of Michigan</span><br style="font-family: monospace;"><span style="font-family: monospace;">Ann Arbor MI 48109-1055 U.S.A.</span><br style="font-family: monospace;"><span style="font-family: monospace;"><a href="mailto:saper@umich.edu">saper@umich.edu</a></span><span style="font-family: monospace;"> phone (734) 764-3353 fax (734) 764-3323</span></div><div><span style="font-family: monospace;"><br></span></div><br class="Apple-interchange-newline">
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