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. 2020 Apr 28;76(Pt 5):222–227. doi: 10.1107/S2053230X2000566X

Table 4. Structure refinement.

Values in parentheses are for the outer shell.

Resolution range (Å) 32.9–1.90 (1.95–1.90)
Completeness (%) 96.63
No. of reflections, working set 17529
No. of reflections, test set 952
Final R cryst 0.229
Final R free 0.266
Cruickshank DPI 0.222
No. of non-H atoms
 Protein 2085
 Ligand 0
 Water 256
 Total 2341
R.m.s. deviations
 Bonds (Å) 0.005
 Angles (°) 0.745
Average B factors (Å2)
 Protein 13.1
 Water 19.9
 Overall 13.8
Ramachandran plot
 Favored regions (%) 95.8
 Additionally allowed (%) 4.2
 Outliers (%) 0