Table I.
Data Collection, Phasing, and Refinement Statistics
| SeMet | Native | |
|---|---|---|
| Data collection | ||
| Cell dimensions (Å) | 92.1, 243.4, 176.4 | 92.1, 243.0, 175.5 |
| Wavelength (Å) | 0.97903 | 1 |
| Resolution (Å) | 50.0–3.00 (3.11–3.00)* | 50.0–3.00 (3.11–3.00)* |
| Rsym | 0.186 (0.870)* | 0.102 (0.336)* |
| Mean I/σ | 9.6 (1.5)* | 10.3 (3.1)* |
| Completeness (%) | 96.9 (94.7)* | 98.3 (94.0)* |
| Redundancy | 6.6 (5.6)* | 4.1 (4.0)* |
| Refinement | ||
| Resolution (Å) | 50–3.00 | |
| No. reflections | 146580 | |
| Rwork/Rfree | 0.205/0.251 | |
| Number of atoms | ||
| Protein/ligand/solvent | 29853/318/61 | |
| Average B-factors | ||
| Protein/ligand/solvent | 87.8/84.4/80.5 | |
| Ramachandran most favored/allowed (%) | 95.8/4.1 | |
| Rmsd bond length (Å)/angles (°) | 0.010/1.026 | |
*
Values in parentheses are for highest-resolution shell.