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. 2016 Dec 8;45(3):1529–1538. doi: 10.1093/nar/gkw1224

Table 2. Crystallography data collection and refinement statistics.

Crystal parameters
Space group P21
Unit cell
a, b, c (Å) 46.67, 85.04, 64.96
α, β, γ (°) 90, 99.07, 90
Data collection
Wavelength (Å) 0.9282
Resolution range (Å) 46.08–1.55 (1.58–1.55)
Total reflections 461 396 (16 873)
Unique reflections 72 125 (3527)
Multiplicity 6.4 (4.8)
Completeness (%) 99.4 (98.9)
Mean I/σ(I) 20.8 (1.9)
Anomalous completeness (%) 97.9 (95.5)
Anomalous multiplicity 3.2 (2.5)
Wilson B-factor 18.1
Rpim 0.028 (0.543)
Refinement
R-factor/Rfree 0.131/0.152
Bonds RMS (Å) 0.008
Angles RMS (°) 0.94
Ramachandran favored (%) 100
Ramachandran outliers (%) 0
Rotomer outliers (%) 0
MolProbity score (percentile) 0.67 (100%)

Values for the highest-resolution shell are shown in parentheses. The Rfree set contained 5% of the reflections.