Table I. Data collection statistics.
| SeMet MAD | ||||
|---|---|---|---|---|
| λ1 (peak) | λ2 (edge) | λ3 (remote) | Native | |
| Wavelength (Å) | 0.980271 | 0.98048 | 0.930003 | 0.97 |
| Obs. reflections | 176 828 | 171 818 | 98 977 | 201 469 |
| Unique reflections | 36 129 | 36 164 | 36 085 | 46 295 |
| Highest res. shell (Å) | 2.00–2.03 | 2.00–2.03 | 2.00–2.03 | 1.85–1.88 |
| Completeness (%) | 90.1 (78.0) | 91.4 (79.6) | 89.8 (73.6) | 94.0 (75.8) |
| Rsyma (%) | 7.7 (34.4) | 7.8 (40.9) | 7.7 (34.0) | 4.5 (32.7) |
| Avg. I/σ (I) | 18.4 (3.2) | 17.5 (2.6) | 12.5 (2.0) | 22.5 (2.5) |
| Mosaicity (°) | 0.704 | 0.522 | 0.551 | 0.154 |
Numbers in parentheses are for highest resolution shell.
aRsym = 100 * Σ | I – <I> | / Σ I, where I is the intensity of an individual measurement and <I> is the average intensity from multiple observations.