Table 1. Statistics of the observed intensity and crystallographic data at three wavelengths.
Peak | Edge | Remote | |
---|---|---|---|
Wavelength (Å) | 1.28254 | 1.28297 | 1.00 |
Resolution (Å) | 50–2.00 (2.07–2.00) | 50–2.10 (2.18–2.10) | 50–1.88 (1.95–1.88) |
Space group | P65 | P65 | P65 |
Unit-cell parameters (Å) | |||
a = b | 134.3 | 134.4 | 134.2 |
c | 120.2 | 120.2 | 120.1 |
Observed reflections | 885376 | 762127 | 1055288 |
Unique reflections | 82859 | 71757 | 99548 |
Completeness (%) | 99.9 (100) | 99.9 (100) | 99.9 (100) |
Redundancy | 10.7 (10.2) | 10.6 (10.1) | 10.6 (10.0) |
I/σ(I) | 57.5 (10.0) | 57.6 (11.5) | 60.0 (8.7) |
Rmerge† (%) | 8.1 (30.2) | 8.1 (27.1) | 8.2 (31.4) |
R merge = 100 × .