<p dir="ltr">Before giving up, search in all 8 possible P422 space groups, individually if necessary. You may have to relax or eliminate packing restraints to get solutions or partial solutions to inspect. Looking at packing of these solutions may give you some clues about the true number of molecules in the ASU and eliminate dome space groups. Matthews calculations are not terribly reliable for N>2. Treat your 8 as a very rough estimate.</p>
<p dir="ltr">If Phaser doesn't work, try EPMR. Ultimately, you may not have sufficient data, but we just solved a difficult data set in P222 point group at 3.4 A with N=6, (Matthews predicted N=8). Looking at packing in Coot suggested a packing problem where a tetramer straddled one of the 2 fold axes. Searching for 3 dimers worked nicely.</p>
<p dir="ltr">__________________<br>
Roger Rowlett<br>
Gordon & Dorothy Kline Professor<br>
Department of Chemistry<br>
Colgate University</p>
<div class="gmail_quote">On May 2, 2015 11:01 AM, "mohamed noor" <<a href="mailto:mohamed.noor34@gmail.com">mohamed.noor34@gmail.com</a>> wrote:<br type="attribution"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div><div><div><div>Dear developers<br><br></div>I have a dataset to about 4 A in point group P 4 2 2 (Pointless suggests P 41 21 2). The protein is about 11 kDa and has an identity of about 50 % to my search model. Phaser calculated the eLLG to be about 5, and maybe not surprisingly, it failed even after using Sculptor to prepare the model.<br><br></div>It also says that solutions with Z-scores more than 8 were rejected for failing the packing test. Are there any suggestions on getting a solution?<br><br></div>Solvent content calculation from Xtriage suggests about 8 copies in the asu. Would this be of any help in MR?<br><br></div>Thanks.<br></div>
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