Table 2. Data-collection statistics.
Values in parentheses are for the highest resolution shell.
Beamline | 23-ID-B, APS |
Wavelength (Å) | 1.03323 |
Detector | MAR 300 CCD |
Oscillation (°) | 0.5 |
No. of frames | 400 |
Resolution (Å) | 1.6 (1.7–1.6) |
Space group | C2 |
Unit-cell parameters (Å, °) | a = 145.42, b = 108.68, c = 78.74, β = 115.845 |
No. of observed reflections | 602221 (99530) |
No. of unique reflections | 144425 (23974) |
Completeness (%) | 99.6 (99.7) |
R meas (%) | 3.3 (64.5) |
CC1/2 | 100 (92.4) |
〈I/σ(I)〉 | 26.50 (3.1) |
Multiplicity | 4.17 (4.15) |