Table 1.
Data collection and refinement statistics
| Crystal 1 | Crystal 2 | |
|---|---|---|
| Data collection | ||
| Space Group | P212121 | P212121 |
| Unit cell (Å) | a = 107.8 b = 140.8 c = 91.0 | a = 106.7 b = 140.1 c = 90.3 |
| Wavelength (Å) | 0.9795 | 0.9795 |
| Resolution (Å) | 40-2.8 (2.9-2.8) | 40-2.1 (2.18-2.10) |
| Total reflections | 200381 | 535273 |
| Unique reflections | 32421 | 77780 |
| Rmerge | 0.127 (0.480) | 0.089 (0.610) |
| Completeness (%) | 94(57) | 97(82) |
| Redundancy | 6.2 (2.4) | 6.9 (5.1) |
| I/σ(I) | 12.7 (1.5) | 21 (2.2) |
| Wilson B (Å2) | 66 | 49 |
| Refinement | ||
| Resolution (Å) | 40-2.09 (2.15-2.09) | |
| R | 0.199 (0.284) | |
| Rfree | 0.234 (0.274) | |
| RMSD non-ideality of bond lengths (Å) | 0.007 | |
| RMSD non-ideality of bond angles (°) | 1.003 | |
| Mean BTLS + Biso for 6504 protein atoms (Å2) | 49.4 | |
| Mean Biso for 365 waters (Å2) | 32.9 | |
| Mean Biso for 16 other atoms (Å2) | 77.5 | |
| Residues with ϕ/ψ in favored regions | 798 | |
| Residues with ϕ/ψ in allowed regions | 16 | |
| Residues with ϕ/ψ in disallowed regions | 2 | |
| TLS groups: | A: 1–35, 36–303, 304–356, 357–429 | |
| B: 3–39, 40–103, 104–300, 301–429 |