Table 1.
Data collection and refinement statistics
| Native | Se-MET | |
|---|---|---|
| Data collection | ||
| Space group |
C2 139.721, 65.323, 112.203 90.00, 113.75, 90.00 |
|
| Unit-cell parameters | ||
| a, b, c (Å) | ||
| α, β, γ (°) | ||
| Wavelength | 0.9799 | 0.9792 |
| Resolution range (Å) | 50.0–2.32 (2.39–2.32)a | 50.0–2.58 (2.62–2.58)a |
| Total reflections | 231,492 | 1,091,254 |
| Unique reflections | 38,812 | 29,881 |
| Completeness (%) | 97.6 (97.0) | 98.8 (99.5%) |
| Redundancy | 6.0 (5.2) | 4.7 (5.0) |
| Rmerge | 0.124 (0.875) | 0.075 (0.806) |
| <I/σI> | 31.67 (2.34) | 15.01 (2.07) |
| Refinement | ||
| Rwork/Rfree | 0.218/0.240 | |
| No. of atoms | ||
| Protein | 3317 | |
| Solvent | 83 | |
| RMSDss | ||
| Bond lengths (Å) | 0.004 | |
| Bond angles (°) | 0.639 | |
| Ramachandran | ||
| Favored (%) | 97.05 | |
| Allowed (%) | 2.95 | |
| Outliers (%) | 0.00 | |
| Average B-factors (Å2) | 80.43 | |
a
Values in parentheses are for highest resolution shell.