Rfactors can vary a lot for equally good results it seems. You need to
look at your Rfactor v resolution to see if there are any problems - ice
rings? low resolution stuff? etc etc
Have you used TLS sensibly - this can help..
etc etc
But if the maplooks good you should be happy.
Eleanor
Tim Gruene wrote:
On Fri, Jun 18, 2010 at 09:14:28AM +0000, atul kumar wrote:
Dear all
[...] these. Other than that, there are no major issues. I was just
wondering if the present R-factor values seem alright for a 1.9 ang data,
which many of you have suggested it does?
Atul
Yes, it does. The R-values are not the numbers you should look at to decide
whether or not model building and refinement have finished. It's the map and
e.g. the molprobity output you should look at.
Tim
On Fri, Jun 18, 2010 at 7:39 AM, atul kumar <atulsingh21...@gmail.com>wrote:
Dear all
I am trying to solve structure of data set at 1.9 A,r merge 9.3,it belongs
to space group P3221 unit cell 160.78 157.32 135.62 90.0 90.0 90.0,i has no
NCS ,i did tls refinement as well but after water addition the r factor and
r free is stucked at 22 and 25 respectively.suggestions are requested for
the same.
regards
Atul Kumar
