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. 2019 Aug 12;1:1–5. doi: 10.1016/j.crstbi.2019.07.001

Table 2.

Refinement and geometric statistics.

Resolution 30.0–3.15 ​Å
Unique reflectionsa 5771
Free R set 5.0%
Working reflections 5482
Rworking 0.205 (0.231)
Rfree 0.274 (0.322)
r.m.s.d bond lengths 0.009 ​Å
r.m.s.d bond angles 1.8°
r.m.s.d chiral vol. 0.084 ​Å3
Ramachandran outliers 10, 5/molecule
Rotamer outliers none
Water molecules 28
ligands β octylglucoside (2)
a

Data was cutoff at 3.15 ​Å resolution.