Table 3. Diffraction data collection and processing.
Values in parentheses are for the highest resolution shell.
| Diffraction source | Beamline 22-ID, SER-CAT, APS |
| Wavelength () | 1.000 |
| Temperature (K) | 100 |
| Detector | Rayonix 300HS high-speed CCD detector |
| Crystal-to-detector distance (mm) | 300 |
| Rotation range per image () | 0.5 |
| Total rotation range () | 250 |
| Exposure time per image (s) | 0.25 |
| Space group | C2 |
| a, b, c () | 137.24, 68.33, 131.49 |
| , , () | 90, 110.5, 90 |
| Mosaicity () | 0.6 |
| Resolution range () | 50.02.12 (2.162.12) |
| Total No. of reflections | 335480 |
| No. of unique reflections | 63465 |
| Completeness (%) | 97.7 (80.2) |
| Multiplicity | 5.3 (4.7) |
| I/(I) | 21.2 (3.9) |
| R merge † | 0.070 (0.421) |
| R r.i.m ‡ | 0.033 (0.210) |
| Overall B factor from Wilson plot (2) | 23.2 |
| CC1/2 | 0.980 (0.898) |
†
R
merge = 
.
‡
Estimated R r.i.m. = R merge[N/(N 1)]1/2, where N is the data multiplicity.