Table 1. Data-collection statistics.
Values in parentheses are for the highest resolution shell.
| Native | SeMet | |
|---|---|---|
| Source | In-house | Diamond I04 |
| Wavelength (Å) | 1.5418 | 0.9799 |
| Resolution (Å) | 30–2.6 (2.69–2.60) | 30–2.0 (2.09–2.00) |
| Space group | P43212/P41212 | P43212/P41212 |
| Unit-cell parameters (Å) | a = b = 61.396, c = 222.431 | a = b = 61.55, c = 222.81 |
| V M (Å3 Da−1) | 2.02 | 2.03 |
| Total measurements | 169348 | 213897 |
| Unique reflections | 13876 | 55100† |
| Average multiplicity | 12.2 (11.5) | 3.9 (3.8) |
| 〈I/σ(I)〉 | 17.9 (2.7) | 17.2 (2.9) |
| Completeness (%) | 99.0 | 99.1 |
| Wilson B factor (Å2) | 59.8 | 39.1 |
| R merge ‡ (%) | 9.8 (62.0) | 7.1 (48.3) |
†
Friedel pairs are treated as separate reflections.
‡
R
merge = 
, where 〈I(hkl)〉 is the average intensity of multiple Ii(hkl) observations of symmetry-related reflections.