[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,


Konstantin (Kostya) Kogan
Postdoctoral researcher
Pekka Lappalainen's Lab
Institute of Biotechnology
University of Helsinki
Helsinki, Finland
Mobile: +358-(0)45-8994342

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://phenix-online.org/pipermail/phenixbb/attachments/20161005/a93f71c4/attachment-0001.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: Screen Shot 2016-10-04 at 12.19.41.png
Type: image/png
Size: 61441 bytes
Desc: not available
URL: <http://phenix-online.org/pipermail/phenixbb/attachments/20161005/a93f71c4/attachment-0001.png>

More information about the phenixbb mailing list