Table 2. Statistics of data collection.
Values in parentheses are for the highest resolution shell.
| Native crystal | SeMet-labelled crystal | |
|---|---|---|
| Diffraction source | BL41XU, SPring-8 | NE-3A, PF |
| Wavelength () | 1.0000 | 0.9788 |
| Temperature (K) | 100 | 100 |
| Detector | Rayonix MX225HE | ADSC Quantum 270 CCD |
| Crystal-to-detector distance (mm) | 220 | 397.1 |
| Rotation range per image () | 0.5 | 0.8 |
| Total rotation range () | 180 | 180 |
| Exposure time per image (s) | 1 | 1.5 |
| Space group | P212121 | P41212 |
| a, b, c () | 54.1, 123.3, 133.8 | 128.9, 128.9, 57.5 |
| , , () | 90, 90, 90 | 90, 90, 90 |
| Mosaicity () | 0.152 | 0.219 |
| Resolution range () | 502.35 (2.492.35) | 503.51 (3.713.51) |
| Total No. of reflections | 274543 (43024) | 87626 (13867) |
| No. of unique reflections | 38131 (5930) | 11215 (1781) |
| Completeness (%) | 99.4 (97.6) | 99.9 (99.7) |
| Multiplicity | 7.20 (7.26) | 7.81 (7.56) |
| I/(I) | 14.51 (2.57) | 12.96 (1.95) |
| R meas † (%) | 9.1 (77.6) | 15.7 (108.3) |
| Overall B factor from Wilson plot (2) | 56.8 | 89.5 |
†
R
meas = 
, where I(hkl) and N(hkl) are the mean intensity of a set of equivalent reflections and the multiplicity, respectively.