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<span style="font-family: WarnockPro-Capt;" class="">Hi,</span>
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<div class="" style="font-family: WarnockPro-Capt;">“How high is too high?” depends upon a lot of factors in your data that are related to the pseudo symmetry but also to the potential presence of other problems (e.g., anisotropy).</div>
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<div class="" style="font-family: WarnockPro-Capt;">Look at this very useful Acta Cryst D paper from Paul Adam’s group and read the section about translational pseudo symmetry (Section 3.2).</div>
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<div class="cit" style="line-height: 1.45em;"><span role="menubar" class=""><a href="https://www.ncbi.nlm.nih.gov/pubmed/?term=Surprises+and+pitfalls+arising+from+(pseudo)symmetry#" title="Acta crystallographica. Section D, Biological crystallography." abstractlink="yes" alsec="jour" alterm="Acta Crystallogr D Biol Crystallogr." role="menuitem" aria-expanded="false" aria-haspopup="true" class="" style="border-bottom-width: 0px;">Acta
Crystallogr D Biol Crystallogr.</a></span> 2008 Jan;64(Pt 1):99-107. Epub 2007 Dec 5.</div>
<h1 class="" style="margin: 0.5em 0px; line-height: 1.25em;"><span class="" style="font-size: 14px;"><span class="highlight">Surprises</span> and <span class="highlight">pitfalls</span> <span class="highlight">arising</span> from (<span class="highlight">pseudo</span>)<span class="highlight">symmetry</span>.</span></h1>
<div class="auths"><font color="#000000" class=""><a href="https://www.ncbi.nlm.nih.gov/pubmed/?term=Zwart%20PH%5BAuthor%5D&cauthor=true&cauthor_uid=18094473" class="" style="border-bottom-width: 0px;">Zwart PH</a><span class="" style="line-height: 1.6363em; position: relative; vertical-align: baseline; top: -0.5em;">1</span>, <a href="https://www.ncbi.nlm.nih.gov/pubmed/?term=Grosse-Kunstleve%20RW%5BAuthor%5D&cauthor=true&cauthor_uid=18094473" class="" style="border-bottom-width: 0px;">Grosse-Kunstleve
RW</a>, <a href="https://www.ncbi.nlm.nih.gov/pubmed/?term=Lebedev%20AA%5BAuthor%5D&cauthor=true&cauthor_uid=18094473" class="" style="border-bottom-width: 0px;">Lebedev AA</a>, <a href="https://www.ncbi.nlm.nih.gov/pubmed/?term=Murshudov%20GN%5BAuthor%5D&cauthor=true&cauthor_uid=18094473" class="" style="border-bottom-width: 0px;">Murshudov
GN</a>, <a href="https://www.ncbi.nlm.nih.gov/pubmed/?term=Adams%20PD%5BAuthor%5D&cauthor=true&cauthor_uid=18094473" class="" style="border-bottom-width: 0px;">Adams PD</a>.</font></div>
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<h3 class="" style="line-height: 1.2857; margin: 0.5em 0em; zoom: 1;"><span class="" style="font-size: 14px;"><dt class="" style="display: inline; padding: 0px; margin-top: 0px; margin-right: 0px; margin-bottom: 0px; white-space: nowrap; font-weight: normal; margin-left: 10px !important;">
DOI:<span class="" style="font-weight: normal; background-color: rgb(255, 255, 255);"> </span></dt><dd class="" style="margin: 0px; display: inline; padding: 0px; white-space: nowrap; font-weight: normal;">
<a href="https://doi.org/10.1107/S090744490705531X" ref="aid_type=doi" target="_blank" class="" style="border-bottom-width: 0px;">10.1107/S090744490705531X</a></span>
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<div class="">Diana</div>
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<div class="">**************************************************<br class="">
Diana R. Tomchick<br class="">
Professor<br class="">
Departments of Biophysics and Biochemistry<br class="">
University of Texas Southwestern Medical Center<br class="">
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<div class="">On Apr 12, 2018, at 8:38 PM, Tanner, John J. <<a href="mailto:TannerJJ@missouri.edu" class="">TannerJJ@missouri.edu</a>> wrote:</div>
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Dear PhenixBB,
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<div class="">We have a crystal form that xtriage flags as having strong translational pseudo symmetry (Patterson peak 57% the height of the origin peak, p-value = 3E-5).
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<div class="">The space group is P21212. We can solve the structure with MR and refine to R=0.233 and R-free =0.276 at 2.25 Angstrom resolution. The maps look very good, but do not suggest major additional modeling that could be done to improve the structure
and lower the R-factors. I know that one expects the R-factors from refinement to be higher when TPS is present, but my question is how high is too high? Has anyone done a study that shows the expectations for R-factors when TPS is present? </div>
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<div class="">Thanks,</div>
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<div class="">Jack </div>
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John J. Tanner<br class="">
Interim Chair, Department of Biochemistry </div>
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Professor of Biochemistry and Chemistry</div>
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<span style="text-align: -webkit-auto;" class="">Department of Biochemistry</span></div>
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University of Missouri-Columbia<br class="">
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