Table 1. Data collection and refinement statistics for the BkTauF_apo (PDB ID:6JKO) and BkTauF_NAD+ crystal (PDB ID:6JKP).
| Crystals | TauF_apo | TauF_NAD+ |
|---|---|---|
| λ for data collection (Å) | 0.9795 | 0.9795 |
| Data collection | ||
| Space group | P 1 21 1 | P 1 21 1 |
| Cell dimension (Å) | ||
| a, b, c (Å) | 70.468 112.502 93.406 | 70.881 112.317 93.573 |
| α, β, γ (°) | 90 107.335 90 | 90 107.529 90 |
| Resolution | 32.3-1.9 (1.968–1.9) | 42.19-3.008 (3.115–3.008) |
| Rmerge | 0.604 (0.082) | 0.800 (0.193) |
| Average I/σ (I) | 11.78 (2.0) | 6.7 (1.2) |
| Completeness (%) | 99.50 (95.71) | 96.92(83.03) |
| Redundancy | 3.5/3.4 | 2.8/3.4 |
| Z | 4 | 4 |
| Refinement | ||
| Resolution | 32.3-1.9 Å | 42.19-3.008 Å |
| Number of reflections | 108623 | 27019 |
| Rfactor/Rfree (10% data) | 0.1566/0.1927 | 0.1998/0.2557 |
| RMSD length (Å) | 0.006 | 0.002 |
| RMSD angle (°) | 0.76 | 0.45 |
| Number of atoms | ||
| Protein | 1504 | 1504 |
| Ligands | 4 | 117 |
| Water | 1107 | 1 |
| Ramachandran plot (%) | ||
| Most favored | 98.66 | 96.26 |
| Additionally allowed | 1.34 | 3.54 |