Table 1. Data collection and refinement statistics1.
Native | |
Data collection | |
Space group | P21 |
Unit cell a, b, c (Å)/β(°) | 53.6, 78.6, 69.8/β = 93.1 |
Wavelength (Å) | 0.97949 |
Resolution (Å) | 34.2–1.70 |
Observed reflections | 213256 (27255) |
Unique reflections | 63333 (8858) |
Completeness (%) | 99.2 (94.7) |
Redundancy | 3.4 (3.1) |
Rmerge | 0.078 (0.433) |
I/σI | 7.2 (2.1) |
Refinement Statistics | |
Resolution (Å) | 34.2–1.70 |
No. reflections work set | 60,097 |
No. reflections test set | 3,211 |
Rwork (%) | 15.6 |
Rfree (%) | 19.3 |
Protein atoms | 4313 |
Solvent atoms | 578 |
Wilson B (Å2) | 24.0 |
Average B protein (Å2) | 30.9 |
Average B solvent (Å2) | 38.0 |
RMSD Bonds (Å) | 0.017 |
RMSD Angles (°) | 1.65 |
Ramachandran distribution | |
Most favored (%) | 98.4 |
Additionally allowed (%) | 1.6 |
values in parenthesis are for the highest resolution shell (1.79–1.70 Å).