Table 3. Data collection and processing.
Values in parentheses are for the outer shell.
| B-His-β-FAA | B-β-FAA-His | B-Se-β-FAA-His | |
|---|---|---|---|
| Diffraction source | BL-5A, PF | BL-5A, PF | BL-5A, PF |
| Wavelength (Å) | 1.0000 | 1.0000 | 0.9785 |
| Temperature (K) | 100 | 100 | 100 |
| Detector | ADSC Quantum 315r | ADSC Quantum 315r | ADSC Quantum 315r |
| Crystal-to-detector distance (mm) | 421.531 | 419.828 | 429.770 |
| Rotation range per image (°) | 0.5 | 0.4 | 0.5 |
| Total rotation range (°) | 360 | 180 | 110 |
| Exposure time per image (s) | 12.0 | 10.0 | 7.0 |
| Space group | P41212 | P41212 | P41212 |
| a, b, c (Å) | 112.86, 112.86, 343.32 | 112.97, 112.97, 341.69 | 112.70, 112.70, 341.50 |
| α, β, γ (°) | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 |
| Mosaicity (°) | 0.12 | 0.12 | 0.14 |
| Resolution range (Å) | 49.05–2.75 (2.83–2.75) | 48.81–2.45 (2.58–2.45) | 30.00–3.20 (3.26–3.20) |
| Total No. of reflections | 1688584 (111998) | 995913 (73430) | 322841 (24619) |
| No. of unique reflections | 58819 (4467) | 81705 (11160) | 68732 (5238) |
| Completeness (%) | 100 (100) | 99.2 (94.9) | 100 (100) |
| Mutliplicity | 28.7 (25.4) | 12.2 (6.6) | 4.7 (4.7) |
| 〈I/σ(I)〉 | 29.9 (4.8) | 18.4 (4.0) | 20.2 (5.0) |
| R meas | 0.127 (0.943) | 0.107 (0.489) | 0.100 (0.387) |
| Overall B factor from Wilson plot (Å2) | 44.1 | 31.7 | 49.3 |