Table 1.
Summary of the collection statistics
| Source | BESSY MX 14.1 | ||
|---|---|---|---|
| Unit cell dimensions | a = 31.322, b = 68.092, c = 47.984, β = 90.827° | ||
| Space group | P21 | ||
| Wavelength (Å) | 0.9184 | 0.9184 | 0.9810 |
| Oscillation range | 95° | 103.5° | 237° |
| Resolution range (Å) | 27.56–1.73 (1.83–1.73) | 28.31–1.74 (1.84–1.74) | 28.31–1.59 (1.69–1.59) |
| Number of observations | 40 334 (5303) | 43 694 (6281) | 75 521 (11 987) |
| Uniquea | 20 100 (2714) | 20 030 (2926) | 26 238 (4246) |
| Redundancya | 1.96 (1.73) | 2.13 (1.94) | 2.80 (2.55) |
| Completenessa (%) | 97.5 (88.6) | 97.7 (90.5) | 97.2 (90.3) |
| Mean I/σ (I) | 17.00 (4.11) | 20.47 (6.48) | 16.74 (5.04) |
| Rint (%) | 3.06 (19.54) | 2.63 (13.59) | 3.07 (19.10) |
| Rrim (%) | 4.15 (26.80) | 3.45 (17.83) | 3.75 (23.38) |
| Rpim (%) | 2.79 (18.25) | 2.21 (11.44) | 2.11 (13.31) |
The three datasets were merged for structure solution and refinement. Values in parentheses refer to outer shell.
aFriedel pairs merged.