[phenixbb] Problem in reducing R-factor

Bosch, Juergen jubosch at jhsph.edu
Fri Oct 11 07:02:07 PDT 2013

What if you don't use NCS with your rfactor

Jürgen Bosch
Johns Hopkins Bloomberg School of Public Health
Department of Biochemistry & Molecular Biology
Johns Hopkins Malaria Research Institute
615 North Wolfe Street, W8708
Baltimore, MD 21205
Phone: +1-410-614-4742
Lab:      +1-410-614-4894
Fax:      +1-410-955-3655

On Oct 11, 2013, at 9:19, "Singh, Bishal" <b.singh at dkfz-heidelberg.de> wrote:

> 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 
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