Table 3. Data collection and processing.
Values in parentheses are for the outer shell.
Diffraction source | BL17U, SSRF |
Wavelength () | 1.196 |
Temperature (K) | 100 |
Detector | ADSC Q315 |
Crystal-to-detector distance (mm) | 250 |
Rotation range per image () | 1 |
Total rotation range () | 60 |
Exposure time per image (s) | 0.5 |
Space group | P61 |
a, b, c () | 113.51, 113.51, 76.17 |
, , () | 90.00, 90.00, 120.00 |
Mosaicity () | 0.45 |
Resolution range () | 35.71.9 (2.01.9) |
Total No. of reflections | 185915 (26532) |
No. of unique reflections | 44414 (6433) |
Completeness (%) | 99.9 (99.7) |
Multiplicity | 4.2 (4.1) |
I/(I) | 14 (2.5) |
R merge | 0.043 (0.326) |
R meas | 0.049 (0.374) |
Overall B factor from Wilson plot (2) | 30.1 |