[phenixbb] Cell dimentions

Bradley Hintze bradley at hintze.org
Sat Aug 29 14:18:49 PDT 2015


I have some interesting DNA structures I would like help with . The
duplexes are stacked in the crystal head to head and tail to tail. This
creates an interesting situation where an adenine is base pairing with
itself across cell symmetry. The most likely way in which adenines base
pairs with itself is if one is in the syn conformation and the other is in
anti, i.e. a Hoogsteen base pair. However, that would break the symmetry as
they are the same adenine and thus can't have two conformations. As such, I
think it's appropriate to have two molecules, rather than one, in the
asymmetric unit. I can make the new model easily enough by generating a
symmetry mate and assigning different chain IDs but how do I appropriately
calculate the new cell dimensions?


-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://phenix-online.org/pipermail/phenixbb/attachments/20150829/17dce458/attachment.htm>

More information about the phenixbb mailing list