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Hi Tongqing,<br>
<br>
can I see the file?<br>
<br>
Thanks,<br>
Pavel<br>
<br>
<div class="moz-cite-prefix">On 6/23/14, 1:40 PM, Zhou, Tongqing
(NIH/VRC) [E] wrote:<br>
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<p class="MsoNormal">Dear Colleagues,<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">I am refining a structure and there is a
SO4 on the 3-fold axis. What I did was to put atom S and O1 on
the 3-fold with occ=0.33, and O2 with occ=1, and no O3 and O4
in the pdb (O3 and O4 will be the symmetry of O2). But when I
refine it, Phenix complains close non-bounded distances for
both S and O1. Is there a way to refine this sulfate? Thanks!<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal"><span
style="font-size:10.5pt;font-family:"Arial","sans-serif";color:#1F497D">Best
regards,
<o:p></o:p></span></p>
<p class="MsoNormal"><b><span
style="font-size:10.5pt;font-family:"Arial","sans-serif";color:#1F497D"><o:p> </o:p></span></b></p>
<p class="MsoNormal"><b><span
style="font-size:10.5pt;font-family:"Arial","sans-serif";color:#1F497D">Tongqing<o:p></o:p></span></b></p>
<p class="MsoNormal"><b><span
style="font-size:10.5pt;font-family:"Arial","sans-serif";color:#1F497D"><o:p> </o:p></span></b></p>
<p class="MsoNormal"><b><span
style="font-size:10.5pt;font-family:"Arial","sans-serif";color:#1F497D">Tongqing
Zhou, Ph.D.<o:p></o:p></span></b></p>
<p class="MsoNormal"><span
style="font-size:10.5pt;font-family:"Arial","sans-serif";color:#1F497D">Staff
Scientist<o:p></o:p></span></p>
<p class="MsoNormal"><span
style="font-size:10.5pt;font-family:"Arial","sans-serif";color:#1F497D">Structural
Biology Section<o:p></o:p></span></p>
<p class="MsoNormal"><span
style="font-size:10.5pt;font-family:"Arial","sans-serif";color:#1F497D">Vaccine
Research Center, NIAID/NIH<o:p></o:p></span></p>
<p class="MsoNormal"><span
style="font-size:10.5pt;font-family:"Arial","sans-serif";color:#1F497D">Building
40, Room 4609B<o:p></o:p></span></p>
<p class="MsoNormal"><span
style="font-size:10.5pt;font-family:"Arial","sans-serif";color:#1F497D">40
Convent Drive, MSC3027<o:p></o:p></span></p>
<p class="MsoNormal"><span
style="font-size:10.5pt;font-family:"Arial","sans-serif";color:#1F497D">Bethesda,
MD 20892<o:p></o:p></span></p>
<p class="MsoNormal"><span
style="font-size:10.5pt;font-family:"Arial","sans-serif";color:#1F497D">(301)
594-8710 (Tel)<o:p></o:p></span></p>
<p class="MsoNormal"><span
style="font-size:10.5pt;font-family:"Arial","sans-serif";color:#1F497D">(301)
793-0794 (Cell)<o:p></o:p></span></p>
<p class="MsoNormal"><span
style="font-size:10.5pt;font-family:"Arial","sans-serif";color:#1F497D">(301)
480-2658 (Fax)<o:p></o:p></span></p>
<p class="MsoNormal"><span
style="font-size:10.5pt;font-family:"Arial","sans-serif";color:#A6A6A6">******************************************************************************<o:p></o:p></span></p>
<p class="MsoNormal"><span
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<p class="MsoNormal"><span
style="font-family:"Arial","sans-serif";color:#A6A6A6">******************************************************************</span><span
style="color:#A6A6A6"><o:p></o:p></span></p>
<p class="MsoNormal"><o:p> </o:p></p>
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<br>
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