Jan, tell your reviewer to join us all in the 21st century. 

Diederichs and Karplus, Science, about 2 decades ago.  (Technically, 2012, but it really is a long long time ago now.)


On 16/04/2019 18:06, Tim Gruene wrote:
Dear Jan,

You statistics look quite solid.

R-factors are not good criteria to judge the resolution cut-off. The weighting 
schemes in refinement programs have much improved since the late 1990s. A good 
starting point to learn more is 
Rupp's "Against Method: Table 1 -Cui Bono?", https://doi.org/10.1016/j.str.
2018.04.013

Best regards,
Tim

On Tuesday, April 16, 2019 6:57:06 PM CEST Jan van Agthoven wrote:
Hi everyone,
I’m trying to publish two structures at 3.1Å resolution with the following
refinement statistics:

Resolution range (Å)                           49.2-3.1                     
            49.3-3.1 Rfactor (%)                                           
24.0 (32.4)                              23.4 (32.0) Rfree (%)             
                                26.6 (29.2)                             
26.3 (31.6)

Data collection
Completeness                                      100 (100)                 
              100 (100)

Redundancy                                        6.9 (7.0)                 
                6.2 (6.3)

Molecules in asymmetric unit              1                                 
            1

Average I/σ                                         14.1 (1.7)              
                 15.3 (2.0)

Rmerge (%)                                          14.9 (100)              
                12.7 (100)

Rmeas (%)                                            16.2 (100)             
                 13.9 (100)

Rsym (%)                                               6.2 (68.6)           
                    5.5 (57.1) Wilson B-factor                             
       65.6                                        62.7

I’ve been told that the Rfree factor in the last shell are too high. Does
anyone know how I can improve these Rfree factors other then cutting the
resolution, which already is rather low?
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