Table 1. X-ray data collection and refinement statistics.
Space group | I2 |
Unit-cell parameters | |
a (Å) | 68.31 |
b (Å) | 51.59 |
c (Å) | 107.80 |
α=γ (°) | 90.00 |
β (°) | 96.34 |
Wavelength (Å) | 0.95370 |
Resolution (Å) | 41.08–1.85 (1.89–1.85) |
Rmerge | 0.13 (1.08) |
Rpim | 0.10 (0.79) |
<I/σ(I)> | 8.10 (1.60) |
CC1/2 | 1.00 (0.56) |
Completeness (%) | 99.70 (99.90) |
Multiplicity | 5.00 (5.00) |
No. of unique reflections | 31 937 (1987) |
No. of observed reflections | 158 961 (9860) |
Refinement | |
Resolution range (Å) | 33.95–1.85 (1.92–1.85) |
Reflections (working set/test set) | 31 911/1587 |
Protein atoms | 2969 |
Solvent molecules | 74 |
Rwork/Rfree | 0.1962/0.2377 |
r.m.s.d., angles (°) | 1.31 |
r.m.s.d., bonds (Å) | 0.02 |
Ramachandran plot (%) | |
Favored | 99.0 |
Allowed | 1.1 |
Disallowed | 0.0 |
Values in parentheses are the values for the highest resolution shell