(a).
Data collection. Values in parentheses are for the highest resolution data shell in each data set.
| SeMet | ||||
|---|---|---|---|---|
| Native | Peak | Edge | Remote | |
| Space group | I41 | I41 | ||
| Unit-cell parameters () | a = 103.9, b = 103.9, c = 122.1 | a = 103.4, b = 103.4, c = 121.5 | ||
| Wavelength | 1.0 | 0.9791 | 0.9794 | 0.9640 |
| Maximum resolution () | 2.0 (2.12.0) | 1.9 (2.01.9) | 1.9 (2.01.9) | 1.9 (2.01.9) |
| Total No. of reflections | 661499 | 698907 | 703103 | 705288 |
| No. of unique reflections | 44415 | 92917 | 93005 | 93214 |
| Multiplicity | 14.9 (12.9) | 7.5 (5.9) | 7.6 (5.9) | 7.6 (5.9) |
| Completeness (%) | 99.9 (99.7) | 99.7 (97.9) | 99.2 (93.0) | 99.4 (94.9) |
| R merge † (%) | 5.2 (18.7) | 4.6 (14.6) | 4.5 (17.0) | 4.5 (21.4) |
| I/(I) | 20.4 (15.1) | 26.0 (16.3) | 23.1 (14.0) | 21.2 (10.9) |