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<div dir="auto">Hi,
<div dir="auto">Do you really need those restraints to maintain the integrity of the beta sheet at 3 ang. resolution?</div>
<div dir="auto">Cheers,</div>
<div dir="auto">Boaz<br>
<br>
<div dir="auto">Boaz Shaanan, Ph.D.<br>
Dept. of Life Sciences<br>
Ben Gurion University<br>
Beer Sheva, Israel</div>
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<div class="x_gmail_extra"><br>
<div class="x_gmail_quote">On Apr 27, 2021 19:04, Matthias Uthoff <matthias.uthoff@uni-koeln.de> wrote:<br type="attribution">
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<div class="PlainText">Hi phenixbb,<br>
<br>
I am working on a homodimer. Each protein has an internal b-sheet with <br>
three b-strands, however the sheets swap their middle strands. So a <br>
sheet consists of one strand from molecule A surrounded by two strands <br>
from molecule B or vice versa. As I am at 3 A resolution, I would like <br>
to set secondary structure restraints including correct hydrogen bonding <br>
between the strands of the two molecules.<br>
<br>
My problem: There is only one protein in the ASU and the "other" <br>
molecule is in deed just a symmetry mate.<br>
<br>
Phenix is not able to automatically detect this and if I provide the <br>
restraints myself, phenix discards them as it is falsely assuming the <br>
b-sheet is intramolecularly (all on chain A) and hence the strands are <br>
30ish A apart.<br>
<br>
What is the best way of refining this feature?<br>
<br>
Thanks in advance,<br>
<br>
Matthias<br>
<br>
-- <br>
Matthias Uthoff, PhD Student<br>
<br>
University of Cologne<br>
Institute for Biochemistry<br>
Zülpicher Straße 47<br>
D-50674 Cologne<br>
<br>
Phone: +49 221 470 3211<br>
E-Mail:matthias.uthoff@uni-koeln.de<br>
Internet:http://px.uni-koeln.de<br>
<br>
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