Table 3. Data collection and processing.
Values in parentheses are for the outer shell.
| Native CD9cryst | Mercury-derivatized CD9cryst I20C | |
|---|---|---|
| Diffraction source | BL32XU, SPring-8 | BL32XU, SPring-8 |
| Wavelength (Å) | 1.0 | 1.0 |
| Temperature (K) | 100 | 100 |
| Detector | EIGER X 9M | EIGER X 9M |
| Crystal-to-detector distance (mm) | 250 | 300 |
| Rotation range per image (°) | 0.1 | 0.1 |
| Exposure time per image (s) | 0.1 | 0.1 |
| No. of data sets for merging | 25 | 47 |
| Oscillation range per crystal (°) | 10–180 | 10–180 |
| Space group | C2221 | C2221 |
| a, b, c (Å) | 45.18, 124.83, 129.23 | 45.18, 125.21, 129.40 |
| α, β, γ (°) | 90, 90, 90 | 90, 90, 90 |
| Resolution range (Å) | 50–2.70 (2.86–2.70) | 50–3.17 (3.43–3.17) |
| Total No. of reflections | 604721 | 397058 |
| No. of unique reflections | 10454 | 17477 |
| Completeness (%) | 100.0 (100.0) | 100.0 (100.0) |
| Multiplicity | 57.85 | 22.72 |
| CC1/2 | 0.998 (0.515) | 0.994 (0.740) |
| 〈I/σ(I)〉 | 15.79 (1.70) | 8.05 (1.70) |
| R meas | 0.526 (3.167) | 0.703 (2.651) |
| Overall B factor from Wilson plot (Å2) | 48.84 | 51.34 |