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Hi Su-Chang,<br>
<br>
that's interesting indeed. I would love to have a look at this
structure: whether when it's published, or you don't mind sending it to
me directly.<br>
<br>
Pavel.<br>
<br>
<br>
On 1/28/10 1:15 AM, Su-Chang Lin wrote:
<blockquote cite="mid:fb5ee696ed11.4b610f70@med.cornell.edu" type="cite">
<pre wrap="">Hi Ralf,
I've done the refinement with alt. conf.. The occupancy is 0.58 for Mol A, 0.42 for Mol B.
The maps look OK. R-factors drops a little bit.
Before when I put Mol A in that region for refinement, I saw additional densities (a helix) for Mol B.
When I put Mol B in the region for refinement, I saw additional densities (loops) for Mol A.
Now with alt. conf. there are no additional densities.
Can I use the occupancies for publication? Or do I need to do/check something else?
Thanks!
Su-Chang
</pre>
<blockquote type="cite">
<pre wrap="">Hi Su-Chang,
</pre>
<blockquote type="cite">
<pre wrap="">I will try to refine the structure without NCS restraints.
</pre>
</blockquote>
<pre wrap="">I'd be interested to know how it goes, although I'm too busy to get
into the NCS code right now.
If the resolution is low I'd think it is better to use NCS, without
alt. conf. The mismatches you saw between related molcules may
be pure artifacts. But trying is better than guessing!
Ralf
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