If you did use aniso B and are stuck at 19.8% for a 'true' 1.45 A data set, I suspect that something might be off ....<div><br></div><div>did you check possibilities for twinning?</div><div><br></div><div>did you optimize weights properly?</div>
<div><br></div><div>P</div><div><br><div><br></div><div><br><div><br></div><div><br><br><div class="gmail_quote">2010/8/3 Geoffrey Feld <span dir="ltr"><<a href="mailto:gkfeld@berkeley.edu">gkfeld@berkeley.edu</a>></span><br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">Dear PhenixBBers,<br><br>I'm working on a 1.45 A structure I solved using MR (phaser) and I'm pretty close to finishing, just plopping in waters and fixing rotamers. Rw = 19.8 Rfree= 22.8. I am a little concerned because my Wilson B is 27.00 while my average B for macromolecule is more like 43, and for solvent is 48. I have enough data to use anisotropic ADP refinement, which was a big help in bringing down the Rfree, but the average B hasn't really moved much. Should I be concerned about this? Should I try adjusting the wxu, or some other parameter? <br>
<br>Thanks!<br><font color="#888888">-- <br>Geoffrey K. Feld<br><br>Department of Chemistry<br>492 Stanley Hall<br>University of California, Berkeley<br><br>"Vigilia pretium libertatis"<br>
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