Table 1. Diffraction data statistics.
Beamline | 19ID, SER-CAT, APS | |
Temperature (K) | 100 | |
Space group | P422 | C2 |
Unit-cell parameters | ||
a (Å) | 103.42 | 146.21 |
b (Å) | 103.42 | 146.12 |
c (Å) | 298.50 | 298.35 |
β (°) | 90 | 90.07 |
Wavelength (Å) | 1.000 | 1.000 |
Resolution (Å) | 30–2.43 (2.47–2.43) | 30–2.43 (2.47–2.43) |
Reflections, measured | 496579 | 495931 |
Reflections, unique | 61810 | 170447 |
Completeness (%) | 99.8 (99.2) | 72.7 (65.9) |
〈I/σ(I)〉 | 26.4 (2.6) | 13.4 (1.5) |
R merge † (%) | 7.5 (75.8) | 6.6 (69.1) |
Multiplicity | 8.0 (7.1) | 2.9 (2.6) |
R merge = .