Table 1. Data-collection details.
Values in parentheses are for the outer shell.
| Peak | Inflection | Remote | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Data | Lattice 1 | Lattice 2 | Merged | Lattice 1 | Lattice 2 | Merged | Lattice 1 | Lattice 2 | Merged |
| Space group | C2 | C2 | C2 | C2 | C2 | C2 | C2 | C2 | C2 |
| Unit-cell parameters | |||||||||
| a (Å) | 179.9 | 179.9 | 180.3 | 180.3 | 180.5 | 180.3 | 180.2 | 180.3 | 180.3 |
| b (Å) | 55.5 | 55.5 | 55.8 | 55.8 | 55.7 | 55.8 | 55.7 | 55.6 | 55.6 |
| c (Å) | 114.7 | 114.8 | 114.8 | 114.9 | 114.9 | 114.9 | 114.9 | 114.9 | 114.9 |
| β (°) | 90.1 | 90.1 | 90.1 | 90.1 | 90.1 | 90.1 | 90.1 | 90.1 | 90.1 |
| Wavelength (Å) | 1.28226 | 1.28226 | 1.28226 | 1.28267 | 1.28267 | 1.28267 | 1.27565 | 1.27565 | 1.27565 |
| Resolution (Å) | 50–2.8 | 50–2.9 | 50–2.9 | 50–3.0 | 50–3.1 | 50–3.1 | 50–2.9 | 50–3.0 | 50–2.9 |
| Completeness (%) | 96.9 (76.7) | 99.7 (97.9) | 100 (100) | 98.1 (99.1) | 96.4 (100) | 100 (100) | 97.5 (88.9) | 95.3 (100) | 100 (100) |
| Redundancy | 8.9 (7.5) | 7.5 (6.8) | 18.3 (16.2) | 3.7 (3.8) | 3.6 (3.7) | 7.3 (7.5) | 3.8 (3.4) | 3.7 (3.9) | 7.4 (6.3) |
| I/σ(I) | 41.5 (5.0) | 27.8 (2.4) | 31.5 (4.7) | 11.7 (1.3) | 9.5 (1.3) | 16.9 (2.4) | 12.1 (1.3) | 8.2 (1.2) | 15.4 (1.6) |
| Rmerge (%) | 15.2 (87.2) | 20.8 (94.7) | 18.7 (91.5) | 14.3 (91.6) | 19.9 (93.3) | 17.8 (88.6) | 14.2 (82.7) | 20.2 (91.7) | 19.3 (98.3) |