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. 2022 Aug 25;78(Pt 9):1156–1170. doi: 10.1107/S2059798322007677

Table 2. X-ray data-collection and refinement statistics.

Valeus in parentheses are for the highest resolution shell.

Resolution range (Å) 93.99–3.24 (3.35–3.24)
Space group P212121
a, b, c (Å) 60.591, 165.037, 228.678
α, β, γ (°) 90, 90, 90
Total reflections 202345 (20961)
Unique reflections 37446 (3704)
Multiplicity 5.4 (5.7)
Completeness (%) 99.43 (99.78)
Mean I/σ(I) 7.87 (1.19)
Wilson B factor (Å2) 85.19
R merge 0.2136 (1.508)
R meas 0.2365 (1.661)
R p.i.m. 0.09988 (0.6879)
CC1/2 0.995 (0.651)
R work 0.245 (0.384)
R free 0.292 (0.408)
R.m.s.d., bond angles 0.002
R.m.s.d., angles 0.53
Ramachandran favored (%) 95.23
Ramachandran outliers (%) 0.07