[phenixbb] model_vs_data

Nathaniel Echols nechols at lbl.gov
Wed Jan 25 11:36:57 PST 2012


On Wed, Jan 25, 2012 at 12:44 PM, Karolina Michalska <dziuba at amu.edu.pl> wrote:
> Information extracted from PDB file header:
>    program_name    : REFMAC
>    year            : None
>    r_work          : 0.15793
>    r_free          : 0.19845
>    high_resolution : 1.45
>    low_resolution  : 36.92
>    sigma_cutoff    : None
>    matthews_coeff  : None
>    solvent_cont    : None
>    TLS             : False (number of groups: 0)
>  After applying resolution and sigma cutoffs:
>    n_refl_cutoff : 26357
>    r_work_cutoff : 0.1450
>    r_free_cutoff : 0.1687
>
>
> Can someone, please, explain why there is such a big difference in R
> values?  When I do refinement in phenix I get practically the same
> results that Refmac produces.

It could be twinning - the output should indicate this somewhere.
What are the re-calculated r_work/r_free values without applying
cutoffs?

-Nat


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