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. 2017 Jun 28;73(Pt 7):431–436. doi: 10.1107/S2053230X17009025

Table 4. Structure refinement.

Values in parentheses are for the outer shell.

Resolution range (Å) 36.41–2.10 (2.16–2.10)
Completeness (%) 99.8
No. of reflections, working set 32079
No. of reflections, test set 1626
Final R cryst 0.203 (0.217)
Final R free 0.240 (0.259)
No. of non-H atoms
 Protein 2718
 Water 281
 Total 2999
R.m.s. deviations
 Bonds (Å) 0.008
 Angles (°) 0.888
Average B factors (Å2)
 Protein 38.7
 Water 47.0
Ramachandran plot
 Favoured regions (%) 94.4
 Additionally allowed (%) 4.6
 Outliers (%) 0.6