Table 1. Data collection and refinement statistics.
| N-MsFadD32 | ATP-MsFadD32 | |
|---|---|---|
| Data collection | ||
| Space group | P212121 | P43212 |
| Cell dimensions | ||
| a, b, c (Å) | 61.7, 78.2, 102.2 | 122.2, 122.2, 142.6 |
| α, β, γ (°) | 90.0, 90.0, 90.0 | 90.0, 90.0, 90.0 |
| Resolution (Å) | 2.40 (2.49–2.40) | 2.25 (2.33–2.25) |
| Rmerge | 0.128 (0.554) | 0.099 (0.557) |
| I/σI | 17.4 (4.2) | 26.5 (6.2) |
| Completeness (%) | 99.8 (99.5) | 100 (100) |
| Redundancy | 10.2 (9.4) | 14.3 (14.8) |
| Refinement | ||
| Resolution (Å) | 25.68–2.40 | 29.99–2.25 |
| No. reflections | 19,858 | 51,768 |
| Rwork/Rfree | 0.185/0.243 | 0.169/0.206 |
| No. atoms | ||
| Protein | 3,691 | 5,429 |
| Ligand/ion | –/– | 31/1 |
| Water | 290 | 482 |
| B-factors (Å2) | ||
| Protein | 30.6 | 46.2 |
| Ligand/ion | –/– | 28.7/31.2 |
| Water | 31.5 | 45.8 |
| R.m.s. deviations | ||
| Bond lengths (Å) | 0.002 | 0.005 |
| Bond angles (°) | 0.629 | 0.951 |
| Ramachandran plot | ||
| Favored (%) | 97.3 | 98.1 |
| Allowed (%) | 2.7 | 1.9 |
| Outliers (%) | 0.0 | 0.0 |
Values in parentheses are for the highest-resolution shell.