Table 1. Data-collection statistics.
Values in parentheses are for the outermost resolution shell.
| meso-Tartrate complex | D-Aspartate complex | |
|---|---|---|
| Beamline | BL-17A, PF | NW-12A, PF-AR |
| Oscillation angle (°) | 0.5 | 0.5 |
| Crystal-to-detector distance (mm) | 213.9 | 189.6 |
| Exposure time (s) | 10 | 10 |
| Wavelength (Å) | 1.0000 | 1.0000 |
| Temperature (K) | 95 | 95 |
| Space group | P21 | P21 |
| Unit-cell parameters (Å, °) | a = 79.38, b = 144.0, c = 80.46, β = 101.1 | a = 79.32, b = 143.8, c = 80.01, β = 100.9 |
| Resolution (Å) | 17.0–1.80 (1.89–1.80) | 17.0–2.05 (2.15–2.05) |
| Observations | 815711 (109097) | 514738 (62167) |
| Unique reflections | 163191 (22081) | 108738 (14125) |
| Completeness (%) | 99.7 (99.4) | 98.8 (96.7) |
| Multiplicity | 5.0 (4.9) | 4.7 (4.4) |
| Average I/σ(I) | 23.5 (4.2) | 18.3 (4.0) |
| Rmerge (%) | 0.040 (0.470) | 0.055 (0.466) |
| Mosaicity (°) | 0.139 | 0.325 |