[phenixbb] Problem in reducing R-factor

Singh, Bishal b.singh at dkfz-heidelberg.de
Fri Oct 11 06:19:02 PDT 2013

Hi all,
 I am solving a crystal structure at 1.3Å. Completeness of the data-set and Figure of merit at this resolution are 99.5% and 0.62 respectively. Structure has two molecules per asymmetric unit. I used TLS parameters and NCS restraints. WXC_scale and WXU_scale are 0.50 and 1.0 respectively. Rwork and Rfree are 18.09 and 19.62 respectively. I tried with reducing WXC_scale and WXU scale to 0.25 and 0.30 respectively but it did not help. Please suggest me if I need to change some parameters. I shall be grateful for your help.

Thanking you,
Bishal Singh
Graduate student
University of Heidelberg, Germany 

More information about the phenixbb mailing list