TABLE 1.
X-ray data collection and refinement statistics
Values in parentheses indicate highest resolution shell.
| Data collection | LRH-1 + RR-RJW100 +Tif2 | LRH-1 + SR-RJW100 + Tif2 |
|---|---|---|
| Space group | P422a | P43212 |
| Cell dimensions | ||
| a, b, c (Å) | 46.4 46.4, 220.5 | 46.3, 46.3, 220.0 |
| α, β, γ (°) | 90, 90, 90 | 90, 90, 90 |
| Resolution (Å) | 50−1.85 (1.92−1.85) | 50−1.93 (2.00−1.93) |
| Rpim | 0.03 (0.22) | 0.02 (0.231) |
| I / σI | 28.5 (1.98) | 33.5 (2.06) |
| CC1/2 in highest shell | 0.878 | 0.861 |
| Completeness (%) | 96.8 (86.1) | 99.7 (97.9) |
| Redundancy | 8.9 (6.8) | 11.1 (8.2) |
| Refinement | ||
| Resolution (Å) | 1.85 | 1.93 |
| No. of reflections | 21026 | 19073 |
| Rwork/Rfree (%) | 19.8/24.1 | 20.5/22.8 |
| No. of atoms | ||
| Protein | 4038 | 4062 |
| Water | 92 | 51 |
| B-factors | ||
| Protein | 38.1 | 46.9 |
| Ligand | 34.8 | 59.2 |
| Water | 36.8 | 43.5 |
| Root mean square deviations | ||
| Bond lengths (Å) | 0.004 | 0.004 |
| Bond angles (°) | 0.578 | 0.588 |
| Ramachandran favored (%) | 98 | 98 |
| Ramachandran outliers (%) | 0 | 0 |
| PDB accession code | 5L11 | 5SYZ |
a Data were processed in P422 but refined in P43212.