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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>
    </div>
    <blockquote
      cite="mid:15C6CC5C94A88E40822C8968710FEEE770EE5B@MLBXv04.nih.gov"
      type="cite">
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        <p class="MsoNormal">Dear Colleagues,<o:p></o:p></p>
        <p class="MsoNormal"><o:p>&nbsp;</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&nbsp; 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>&nbsp;</o:p></p>
        <p class="MsoNormal"><o:p>&nbsp;</o:p></p>
        <p class="MsoNormal"><span
style="font-size:10.5pt;font-family:&quot;Arial&quot;,&quot;sans-serif&quot;;color:#1F497D">Best
            regards,
            <o:p></o:p></span></p>
        <p class="MsoNormal"><b><span
style="font-size:10.5pt;font-family:&quot;Arial&quot;,&quot;sans-serif&quot;;color:#1F497D"><o:p>&nbsp;</o:p></span></b></p>
        <p class="MsoNormal"><b><span
style="font-size:10.5pt;font-family:&quot;Arial&quot;,&quot;sans-serif&quot;;color:#1F497D">Tongqing<o:p></o:p></span></b></p>
        <p class="MsoNormal"><b><span
style="font-size:10.5pt;font-family:&quot;Arial&quot;,&quot;sans-serif&quot;;color:#1F497D"><o:p>&nbsp;</o:p></span></b></p>
        <p class="MsoNormal"><b><span
style="font-size:10.5pt;font-family:&quot;Arial&quot;,&quot;sans-serif&quot;;color:#1F497D">Tongqing
              Zhou, Ph.D.<o:p></o:p></span></b></p>
        <p class="MsoNormal"><span
style="font-size:10.5pt;font-family:&quot;Arial&quot;,&quot;sans-serif&quot;;color:#1F497D">Staff
            Scientist<o:p></o:p></span></p>
        <p class="MsoNormal"><span
style="font-size:10.5pt;font-family:&quot;Arial&quot;,&quot;sans-serif&quot;;color:#1F497D">Structural
            Biology Section<o:p></o:p></span></p>
        <p class="MsoNormal"><span
style="font-size:10.5pt;font-family:&quot;Arial&quot;,&quot;sans-serif&quot;;color:#1F497D">Vaccine
            Research Center, NIAID/NIH<o:p></o:p></span></p>
        <p class="MsoNormal"><span
style="font-size:10.5pt;font-family:&quot;Arial&quot;,&quot;sans-serif&quot;;color:#1F497D">Building
            40, Room 4609B<o:p></o:p></span></p>
        <p class="MsoNormal"><span
style="font-size:10.5pt;font-family:&quot;Arial&quot;,&quot;sans-serif&quot;;color:#1F497D">40
            Convent Drive, MSC3027<o:p></o:p></span></p>
        <p class="MsoNormal"><span
style="font-size:10.5pt;font-family:&quot;Arial&quot;,&quot;sans-serif&quot;;color:#1F497D">Bethesda,
            MD 20892<o:p></o:p></span></p>
        <p class="MsoNormal"><span
style="font-size:10.5pt;font-family:&quot;Arial&quot;,&quot;sans-serif&quot;;color:#1F497D">(301)
            594-8710 (Tel)<o:p></o:p></span></p>
        <p class="MsoNormal"><span
style="font-size:10.5pt;font-family:&quot;Arial&quot;,&quot;sans-serif&quot;;color:#1F497D">(301)
            793-0794 (Cell)<o:p></o:p></span></p>
        <p class="MsoNormal"><span
style="font-size:10.5pt;font-family:&quot;Arial&quot;,&quot;sans-serif&quot;;color:#1F497D">(301)
            480-2658 (Fax)<o:p></o:p></span></p>
        <p class="MsoNormal"><span
style="font-size:10.5pt;font-family:&quot;Arial&quot;,&quot;sans-serif&quot;;color:#A6A6A6">******************************************************************************<o:p></o:p></span></p>
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        <p class="MsoNormal"><span
style="font-family:&quot;Arial&quot;,&quot;sans-serif&quot;;color:#A6A6A6">******************************************************************</span><span
            style="color:#A6A6A6"><o:p></o:p></span></p>
        <p class="MsoNormal"><o:p>&nbsp;</o:p></p>
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      <pre wrap="">_______________________________________________
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</pre>
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