Table 1. Data collection and refinement statistics. The highest resolution shell is shown in parentheses.
| Crystal of NAMPT+MS0 | Crystal of NAMPT | |
|---|---|---|
| Data collection | ||
| Space group | P21 | P21 |
| Cell dimensions | ||
| a, b, c (Å) | 60.84, 106.65, 83.24 | 60.55, 107.25, 82.77 |
| α, β, γ (°) | 90.00, 96.68, 90.00 | 90.00, 96.19, 90.00 |
| Number of reflections processed | 1233031 | 398849 |
| Number of unique reflections | 179816 | 70544 |
| Resolution (Å) | 65.34–1.46 (1.46-1.50) | 53.62–2.00 (2.00-2.05) |
| Rsym | 8.4 (79) | 12.3 (54.6) |
| Mean I/σ(I) | 12.1 (2.2) | 9.6 (2.9) |
| Completeness (%) | 98.7 (98.3) | 99.5 (99.3) |
| Redundancy | 6.9 (6.9) | 5.7 (5.3) |
| Refinement | ||
| Resolution (Å) | 65.34–1.46 | 53.62–2.00 |
| Number of reflections (test set) | 179792 | 70521 |
| Rwork/Rfree | 0.1655/0.1916 | 0.2076/0.2504 |
| Number of atoms | ||
| Protein | 3785 | 4023 |
| Overall B values (Å2) | ||
| NAMPT | 14.88 | 22.84 |
| RMSD | ||
| Bond lengths (Å) | 0.0065 | 0.008 |
| Bond angles (°) | 0.919 | 0.924 |
| Ramachandran plot statistics (%)* | ||
| Favored regions | 97.2 | 94.4 |
| Allowed regions | 0.7 | 2.2 |
| Disallowed regions | 2.1 | 3.4 |
*As defined in MolProbity.