<br>Yes, I rescaled my data to C2 (186.38, 103.16, 295.88, 90.00, 98.79, 90.00), and AutoMR found a solution. After refinement, the R went down to ~0.38, and the electron density fits well with my model except some flexible parts. Although there is a small crash between symmetry related molecules, due to the flexible feature of that domain, I don't think it is a problem. <br>
<br>But the index confused me a lot. When I try to re-index my space group in HKL2000. The initial Index always suggests <br>P1 (103.32, 185.24, 291.75, 97.55, 90.18, 90.48 ) Distortion Index 0.00% <br>P2 (186.38, 103.16, 295.88, 90.00, 98.79, 90.00) Distortion Index 0.22%<br>
(they are basically the same)<br>while HKL2000 couldn't index the data to correct C2, the only C2 it found is <br><br>C2 (592.23, 103.32, 185.24, 90.00, 97.52, 90.00) Distortion index 4.11%<br><br>the unit cell looks twice bigger than current one, and it has quite unacceptable distortion index. It couldn't be refined. (Extremely high chi square and mosaicity)<br>
<br>So, I just rescaled the integrated data (P2) to C2. The statistics of scale is OK, and there is no obvious violation. <br><br>Could someone tell me why HKL2000 couldn't find the correct C2 SP?<br><br>Yu <br><br>
<br> <br><div class="gmail_quote">2011/3/16 Ed Pozharski <span dir="ltr"><<a href="mailto:epozh001@umaryland.edu">epozh001@umaryland.edu</a>></span><br><blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
<div class="im">On Tue, 2011-03-15 at 19:49 -0400, Zhang yu wrote:<br>
> If the observed pseudo translationals are crystallographic<br>
> the following spacegroups and unit cells are possible:<br>
><br>
> space group operator unit cell of reference<br>
> setting<br>
><br>
> C 1 2 1 (a-1/4,b-1/4,c) x+1/2, y+1/2, z (186.38, 103.16,<br>
> 295.88, 90.00, 98.79, 90.00)<br>
><br>
<br>
</div>I presume that you tried to process your data in C2 and it did not<br>
work?<br>
<font color="#888888"><br>
--<br>
</font><div class="im">"I'd jump in myself, if I weren't so good at whistling."<br>
Julian, King of Lemurs<br>
<br>
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