[phenixbb] SFALL in CCP4 and calculate F(model) in Phenix

Nathaniel Echols nechols at lbl.gov
Mon Jul 21 16:47:27 PDT 2014


On Mon, Jul 21, 2014 at 2:46 PM, PC <patrick.cossins at inbox.com> wrote:

>  I was wondering if SFALL in CCP4 and calculate F(model) for a protein
> will give the same MTZ
> for a given protein?
>

Very close, but not exactly identical.  I tried this on one of the tutorial
structures and the R-factors for comparing resolution shells are all below
0.001 (i.e. 0.1%), with a CC of 1.0, so probably good enough for most
purposes.

-Nat
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