Table 3.
Data collection and refinement statistics.
| Data Collection and Refinement Statistics | ||
|---|---|---|
| hQR2-FAD Bound to Compound 10, PDB Entry: 4XDH | hQR2-FAD Bound to Compound 8′, PDB Entry: 4XDG | |
| X-ray source | SOLEIL synchrotron, Proxima1 | SOLEIL synchrotron, Proxima1 |
| Oscillation range (°) | 0.1° | 0.1° |
| Number of frames | 2000 | 2000 |
| Exposure (s) | 0.1 | 0.1 |
| Detector distance (mm) | 296.299 | 270.864 |
| Wavelength (Å) | 0.97857 | 0.97857 |
| Space group | P212121 | P212121 |
| Unit cell parameters a, b, c (Å) | 56.514, 84.030, 106.420, 90.000, 90.000, 90.000 | 56.487, 83.634, 106.375, 90.000, 90.000, 90.000 |
| Resolution (Å) | 50.0–1.9 (2.01–1.90) | 50.0–1.5 (1.59–1.50) |
| Rsym | 20.2 (109.1) | 19 (61.9) |
| I/sI | 6.83 (1.61) | 12.58 (3.11) |
| Completeness (%) | 99.4 (97.6) | 99.9 (99.5) |
| Multiplicity | 7.32 (7.34) | 7.31 (7.14) |
| Number of reflections | 40641 | 81302 |
| (XX) statistics for high resolution range | ||
| Refinement Statistics | ||
| Resolution (Å) | 27.82–1.90 (1.95–1.90) | 46.81–1.50 (1.54–1.50) |
| Rwork/Rfree (%) | 17.09/19.88 (22.41/23.13) | 16.63/18.66 (23.98/28.35) |
| Number of atoms (protein/waters) | 3635/255 | 3727/524 |
| Mean B-factor (Å2) | 32.17 | 26.25 |
| R.m.s deviations: Bond lengths (Å)/Bond angles (°) | 0.010/0.99 | 0.010/1.02 |