Table 1.
Data collection and refinement statistics
| Native | |
|---|---|
| Data collection | |
| Space group | P 21 2 21 |
| Cell dimensions | |
| a, b, c (Å) | 69.12, 74.77, 107.58 |
| α, β, γ (°) | 90.00, 90.00, 90.00 |
| Resolution (Å) | 19.87–2.33 (2.39–2.33) |
| R pim | 0.046 (0.414) |
| I / σI | 32.38 (2.44) |
| CC1/2 (%) | 0.723 |
| Completeness (%) | 99.4 (97.1) |
| Redundancy | 5.8 (5.7) |
| Refinement | |
| Resolution (Å) | 19.87–2.33 |
| No. reflections | 21020 |
| R work/Rfree | 20.72/23.64 |
| No. atoms | |
| Protein | 3680 |
| Glycerol | 6 |
| Water | 79 |
| B-factors | |
| Mean | 57.82 |
| Protein | 57.88 |
| Ligand | 48.85 |
| Water | 55.65 |
| R.m.s. deviations | |
| Bond lengths (Å) | 0.0074 |
| Bond angles (°) | 1.5774 |
| Ramachandran | |
| Core | 92.6% |
| Allowed | 7.1% |
| Gen. Allowed | 0.2% |
| Disallowed | 0.0% |
*Values in parentheses are for the highest-resolution shell.
Diffraction data were collected from one crystal.