TABLE 1.
X-ray data collection and structure refinement statistics
| Parameter | Result |
|---|---|
| Data collection | |
| Space group | P1 |
| Cell dimensions | |
| a (Å) | 39.2 |
| b (Å) | 66.0 |
| c (Å) | 78.8 |
| α (°) | 112.5 |
| β (°) | 102.9 |
| γ (°) | 89.8 |
| Resolution (Å) | 39.1-2.8 |
| Redundancy | 1.7 (1.6) |
| Completeness (%) | 91.5 (91.7) |
| Average I/σ (I) | 4.3 (2.5) |
| Rsym (%) | 11.2 (21.4) |
| Refinement | |
| Resolution limits (Å) | 39.1-2.8 |
| No. of reflections | 15,957 |
| Rwork (%) | 25.8 |
| Rfree (%) | 33.3 |
| No. of non-H atoms | |
| Protein | 4,208 |
| Water | 256 |
| AdoHcy | 2 |
| Average B (Å2) | 26.5 |
| Geometry | |
| rmsd bond length (Å) | 0.008 |
| rmsd bond angle (°) | 1.4 |
| Ramachandran plot | |
| Most favored (%) | 85.7 |
| Additionally allowed (%) | 13.6 |
| Generously allowed (%) | 0.7 |
| Disallowed (%) | 0.0 |