Table 1. Summary of data-collection and refinement statistics.
| Data set | Se peak | Se edge | Se remote |
|---|---|---|---|
| Data collection | |||
| Wavelength (Å) | 0.97911 | 0.97940 | 0.90000 |
| Space group | P212121 | ||
| Unit-cell parameters | |||
| a (Å) | 56.30 | ||
| b (Å) | 86.49 | ||
| c (Å) | 109.58 | ||
| Resolution range (Å) | 46.28–2.40 (2.49–2.40) | 46.34–2.40 (2.49–2.40) | 43.37–2.40 (2.49–2.40) |
| No. of measured reflections | 96534 | 95669 | 95002 |
| No. of unique reflections | 38812 | 38633 | 38701 |
| Average redundancy | 2.49 (2.55) | 2.48 (2.54) | 2.45 (2.53) |
| Completeness (%) | 96.1 (99.0) | 95.3 (98.8) | 95.6 (99.0) |
| Rmerge | 0.071 (0.182) | 0.073 (0.233) | 0.077 (0.230) |
| 〈I/σ(I)〉 | 7.7 (4.3) | 7.0 (3.3) | 6.5 (3.3) |
| Refinement statistics | |||
| Resolution range (Å) | 46.28–2.40 (2.49–2.40) | ||
| Rwork | 0.223 (0.333) | ||
| Rfree | 0.299 (0.388) | ||
| Ramachandran plot, residues in | |||
| Most favoured region (%) | 93.1 | ||
| Additionally allowed region (%) | 6.1 | ||
| Generally allowed region (%) | 0.0 | ||
| Disallowed region (%) | 0.8 | ||