Table 3. Data collection and processing.
Values in parentheses are for the highest resolution shell.
| SeMet (peak) | SeMet (inflection) | SeMet (remote) | Native | |
|---|---|---|---|---|
| Diffraction source | Beamline 9-2, SSRL | Beamline 9-2, SSRL | Beamline 9-2, SSRL | Beamline 9-2, SSRL |
| Wavelength (Å) | 0.9791 | 0.9794 | 0.9565 | 0.9791 |
| Temperature (K) | 100 | 100 | 100 | 100 |
| Detector | MARmosaic 325 | MARmosaic 325 | MARmosaic 325 | MARmosaic 325 |
| Crystal-to-detector distance (mm) | 300 | 300 | 300 | 150 |
| Rotation range per image (°) | 2 | 2 | 2 | 0.5 |
| Total rotation range (°) | 180 | 180 | 180 | 180 |
| Exposure time per image (s) | 2 | 2 | 2 | 2 |
| Space group | P21 | P21 | P21 | P21 |
| a, b, c (Å) | 62.4, 98.9, 63.2 | 62.4, 98.9, 63.2 | 62.4, 98.9, 63.2 | 62.52, 99.00, 63.05 |
| α, β, γ (°) | 90, 102.32, 90 | 90, 102.32, 90 | 90, 102.32, 90 | 90, 102.32, 90 |
| Resolution range (Å) | 49.90–2.30 | 49.90–2.30 | 49.90–2.30 | 29.41–1.22 (1.26–1.22) |
| Total No. of reflections | 127844 | 126968 | 127216 | 1042761 |
| No. of unique reflections | 33502 | 33480 | 33539 | 221938 (21937) |
| Completeness (%) | 100.0 | 99.90 | 99.90 | 99.88 (98.99) |
| 〈I/σ(I)〉 | 12.3 | 12.2 | 11.5 | 22.92 (3.30) |
| R merge (%) | 8.6 | 8.4 | 9.4 | 3.7 |
| Overall B factor from Wilson plot (Å2) | 14.21 |