TABLE 1.
Data collection and processinga
| Wavelength (Å) | Resolution range (Å) | Total no. of observations | No. of unique reflections | Completeness (%) | R merge (%)b | <I/ς(I)> |
|---|---|---|---|---|---|---|
| 0.9116 | 24-2.8 (2.90-2.80) | 19,170 (1,780) | 6,347 (633) | 99 (99) | 7.4 (60) | 11.4 |
| 0.9781 | 24-3.0 (3.11-3.00) | 31,433 (2,706) | 5,200 (509) | 100 (99) | 8.7 (68) | 10.1 |
| 0.9778 | 24-3.0 (3.11-3.00) | 31,626 (2,822) | 5,188 (521) | 100 (100) | 9.5 (62) | 11.4 |
| Combined | 24-2.75 (2.96-2.75) | 6,321 (995) | 94 (74) | 7.1 (53) | 17.2 (1.5) |
a
Values in parentheses are for the highest-resolution shell.
b
R merge = 100 × ΣhΣj‖Ih,merged|−|Ih,j‖/ΣhN|<Ih,merged|, where j = 1, …, N for N data observations, h are unique reflection indices, and Ih,merged is the mean intensity.