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. 2019 Jan 1;75(Pt 1):47–53. doi: 10.1107/S2053230X18016011

Table 2. Refinement and model.

No. of reflections, work set 2881
No. of reflections, test set 143 (5.9%)
R work 0.216
R free 0.284
Mean B factor, overall (Å2) 32.6
R.m.s.d., bonds (Å) 0.005
R.m.s.d., angles (°) 1.32
R.m.s.d., chiral volumes (Å3) 0.061
Ramachandran outliers 2 (per asymmetric unit)
Rotamer outliers 0
Twinning fraction 0.28
TLS applied No
B factors Isotropic
No. of waters in asymmetric unit 25