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.