<div dir="ltr">What happens if you try refining protein atoms (but not waters) with individual anisotropic B-factors instead of TLS? It isn't guaranteed to work at 1.3Å, but it usually does (in my hands, anyway).<div>
<br></div><div style>Also make sure you have explicit hydrogens added; this will have a significant effect at this resolution. And turn on the water update if you haven't already.</div></div><div class="gmail_extra">
<br><br><div class="gmail_quote">On Fri, Oct 11, 2013 at 6:19 AM, Singh, Bishal <span dir="ltr"><<a href="mailto:b.singh@dkfz-heidelberg.de" target="_blank">b.singh@dkfz-heidelberg.de</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Hi all,<br>
I am solving a crystal structure at 1.3Å. Completeness of the data-set and Figure of merit at this resolution are 99.5% and 0.62 respectively. Structure has two molecules per asymmetric unit. I used TLS parameters and NCS restraints. WXC_scale and WXU_scale are 0.50 and 1.0 respectively. Rwork and Rfree are 18.09 and 19.62 respectively. I tried with reducing WXC_scale and WXU scale to 0.25 and 0.30 respectively but it did not help. Please suggest me if I need to change some parameters. I shall be grateful for your help.<br>
<br>
Thanking you,<br>
Bishal Singh<br>
Graduate student<br>
University of Heidelberg, Germany<br>
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</blockquote></div><br></div>