[phenixbb] Highly anisotropic data
Kogan, Konstantin
konstantin.kogan at helsinki.fi
Tue Oct 4 23:47:06 PDT 2016
Dear all,
I have highly anisotropic data. I was able to solve the structure by MR,
and refine it with phenix.refine to Rwork/Rfree=0.28/0.31 with
Resolution cutoff 2.64Å and mean B values 114, which is pretty high for
such resolution. Though the overall structure makes sense, the maps are
quite featureless, no water molecules, and side-chains refinement is a
problem. I have tested how the data is anisotropic with Diffraction
Anisotropy Server <https://services.mbi.ucla.edu/anisoscale/> (see
attached image), which shows clearly, that we don't really have data to
2.64Å in all directions. Though, there are other servers/programs that
can deal specifically with anisotropic data e.g. STARANISO anisotropy
server <http://staraniso.globalphasing.org/cgi-bin/staraniso.cgi> and
then refine with BUSTER, I would like to know if it's possible still to
use Phenix with some more advance parameters to actually address the
issue of anisotropy and to get maximum out of the data. The space group
is P61 2 2, cell parameters are 73, 73, 453, 90, 90, 120 and I have high
multiplicity data, but no NCS.
Thanks in advance for any input,
Kostya
--
Konstantin (Kostya) Kogan
Postdoctoral researcher
Pekka Lappalainen's Lab
Institute of Biotechnology
University of Helsinki
Helsinki, Finland
Mobile: +358-(0)45-8994342
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