Table 1. Data collection and statistics.
Values in parentheses are for the highest resolution shell.
| PE | PC | |
|---|---|---|
| Beamline | SSRF BL17U | SSRF BL17U |
| Wavelength (Å) | 0.9793 | 0.9788 |
| Detector | MAR 225 CCD | MAR 225 CCD |
| No. of crystals | 1 | 1 |
| Distance to detector (mm) | 220 | 220 |
| Oscillation range per frame (°) | 1.0 | 1.0 |
| Total No. of images | 360 | 360 |
| Exposure time (s) | 2 | 2 |
| Temperature (K) | 100 | 100 |
| Resolution (Å) | 50.00–2.07 (2.14–2.07) | 50.00–2.70 (2.80–2.70) |
| Mosaicity (°) | 0.18–0.33 | 0.42–0.77 |
| Space group | R3 (hexagonal indexing) | P21 |
| Unit-cell parameters (Å, °) | a = 187.7, b = 187.7, c = 59.7 | a = 103.2, b = 123.0, c = 184.2, β = 89.3 |
| Volume of unit cell (Å3) | 1821465 | 2305213 |
| No. of (αβ) heterodimers per asymmetric unit | 2 | 12 |
| Matthews coefficient (Å3 Da−1) | 2.8 | 2.7 |
| Data completeness (%) | 99.7 (97.4) | 100.0 (100.0) |
| Rmerge† (%) | 14.4 (72.7) | 12.7 (76.7) |
| 〈I/σ(I)〉 | 12.2 (1.7) | 14.4 (2.7) |
| Multiplicity | 5.5 (3.7) | 6.4 (6.4) |
| No. of reflections collected | 261871 | 806597 |
| No. of unique reflections | 47618 (4645) | 126698 (12653) |
†
R
merge = 
, where I
i(hkl) is the ith measurement of the intensity of reflection hkl and 〈I(hkl)〉 is the mean intensity of reflection hkl.