Table 1.
Crystallographic data phasing and refinement statistics
| Native 1 | Se-Met (peak) | |
|---|---|---|
| Space group | P21 | P21 |
| Cell dimensions | ||
| a, b, c (Å) | 44.5 148.4 91.0 | 44.7 149.9 91.6 |
| α, β, γ (°) | 90.0 92.2 90.0 | 90.0 91.0 90.0 |
| X-ray source | ESRF-ID14-2 | ESRF-BM-14 |
| Wavelength (Å) | 0.9340 | 0.978 (peak) |
| Resolution (Å) | 20–2.0 | 25–2.55 |
| Total measurements | 291 014 (44 787)a | 290 548 (44 218)b |
| Unique reflections | 77 953 (12 258)a | 74 414 (11 392)b |
| Redundancy | 3.7 (3.65)a | 3.9 (3.8)b |
| Completeness (%) | 97.8 (95.1)a | 97.6 (95.0)b |
| Rsym (%) | 7.7 (38.6)a | 7.0 (34.3)b |
| I/σ | 15.17 (3.69)a | 17.8 (4.2)b |
| FOM (acentric) | 0.34 | |
| Refinement statistics | ||
| Protein residues | 800 | |
| Water molecules | 325 | |
| Rwork (%) | 22.5 | |
| Rfree (%) | 27.9 | |
| φψ Most favoured (%) | 96 | |
| φψ Additionally allowed (%) | 3.2 |
aStatistics for high resolution bin (2.0–2.12 Å) are indicated in parentheses.
bHigh resolution bin (2.55–2.7 Å) are indicated in parentheses.