Table 2.

Refinement statistics used in this paper

Variable Value 
Unique reflectionsa 30,887 
R factor 18.59 
Rfree 24.36 
Refined atoms  
Protein non-H atoms 5,375 
Solvent 120 
r.m.s. deviations  
Bond lengths (Å) 0.009 
Bond angles 1.173 
Ramachandran analysis  
Most favored (%) 92.8 
Additionally allowed 6.5 
Generously allowed 0.3 
Disallowed 0.3 
Variable Value 
Unique reflectionsa 30,887 
R factor 18.59 
Rfree 24.36 
Refined atoms  
Protein non-H atoms 5,375 
Solvent 120 
r.m.s. deviations  
Bond lengths (Å) 0.009 
Bond angles 1.173 
Ramachandran analysis  
Most favored (%) 92.8 
Additionally allowed 6.5 
Generously allowed 0.3 
Disallowed 0.3 

Rfree is the same for the test set (5% of the data). R factor = ∑hkl | |Fo| − k|Fc|/∑hkl |Fo|, in which k is the scaling factor, Fc is the calculated amplitude of the structure factor, and Fo is the observed amplitude of the structure factor. ESRF, European Synchrotron Radiation Facility; r.m.s., root-mean-square.

a

This number does not include the free R set of reflections (5% of total reflections).

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