Dear Pavel,
Recently we determined the structure of a fusion protein with 2.5 chains
in the AU in P3(2)21 (I posted this case in the ccp4bb). The protein
forms a pentamer with one chain sitting on the 2-fold. I refined it in
P3(2) with 4 well defined chains and the 5th chain having two
conformations. This 5th chain interacts exclusively with the other 4
chains of the pentamer, rendering it asymmetric, but this asymmetry is
not transmitted to the crystal contacts of the pentamer. My
interpretation is that the pentamer packs in a P3(1)21 lattice with a
random distribution of the 5th chain. We tried many other SGs (including
P1) with and without twinning, but it always came back to this
interpretation.
All the best,
Peer
Am 24.08.2022 um 00:02 schrieb Pavel Afonine:
Dear community,
I’m looking for an example of a crystal structure where a large group
of atoms (as large as a whole chain or even a domain) have more than
one distinct conformation that would require modeling of such
chain/domain as more than one individual copy, with each copy having
partial occupancy. I’m not sure if that even exists but if someone can
share an example that'd be very much appreciated!
Thanks!
Pavel
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******************************************
PD Dr. Peer Mittl
Biochemisches Institut
Universität Zürich
8057 Zürich
Switzerland
Phone: +41-44-635 6559
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