Hi Pankaj,
if you are refining in phenix.refine:
- is automatic ordered solvent (water) update is turned on;
- you can try weight optimization: "optimize_wxc=true optimize_wxu=true";
- is NCS available. Use it if so.
In fact, the Rworks seems fine, but the gap Rfree-Rwork seems large.
Insignificant remark: TLS is a more adequate model for ADPs, and not the
tool to reduce R-factors.
Good luck!
Pavel.
On 12/3/09 9:07 PM, Pankaj Chauhan wrote:
Hi all,
In one of my 2.52 A structure, which is dimeric, the R-factor is 21.4
and free-R is 29.3. I have tried all ways to reduce the free-R
including TLS (even by defining the number of TLS group per chain),
but still factors are not getting reduced. Even i have tried some
other space group, but no use. Even i have the same structure with
some complex at 1.86 A in the same space group , but everything is
fine in that.
Any suggestion,
Regards,
--
Pankaj Chauhan
Senior Research Fellow, Graduate student
Crystallography Laboratory
Division of Protein Science & Engg.
IMTECH , Chandigarh, INDIA
