Table 1. Diffraction, data-collection and reduction statistics for TRCF selenomethionyl-substituted crystals.
Values in parentheses are for the highest resolution shell.
| SeMet1 | SeMet2 | |
|---|---|---|
| Space group | C2 | C2 |
| Molecules per ASU | 2 | 2 |
| Unit-cell parameters (Å, °) | a = 151.7, b = 162.2, c = 162.1, β = 104.9 | a = 151.9, b = 162.0, c = 161.7, β = 105.1 |
| Wavelength (Å) | 0.98166 | 0.97899 |
| Resolution (Å) | 40–4.0 (4.14–4.0) | 40–3.2 (3.31–3.20) |
| Reflections measured | 228334 | 300181 |
| Unique reflections | 62430 | 122388 |
| Completeness (%) | 99.6 (100) | 99.9 (99.9) |
| Redundancy | 3.7 (3.7) | 2.5 (2.0) |
| 〈I/σ(I)〉 | 10.9 (2.9) | 12.4 (2.5) |
| Rsym† (%) | 12.9 (50.2) | 0.08 (37.7) |
| SAD figure of merit | 0.17 |
R
sym =
, where I is the observed intensity and 〈I〉 is the average intensity of multiple observations of symmetry-related reflections.