Table 1.
Crystal data and refinement statistics
| Data | SPAK 63–403 | SPAK 63–390 (T243D) |
|---|---|---|
| Spacegroup | P 21 | P 21 21 21 |
| Cell dimensions (Å) | a= 72.4, b= 56.1, c= 100.0 | a= 66.4, b= 101.7, c= 104.1 |
| α, β, γ | 90°, 108.3°, 90° | 90°, 90°, 90° |
| Resolution (Å) | 42.9–3.10 (3.20–3.10) | 50–2.45 (2.54–2.45) |
| Observed reflection | 38612 | 308327 |
| Unique reflection | 13658 | 27322 |
| Completeness | 85.6 (44.3) | 93 (80.7) |
| Rmerge (outer shell)1 | 0.069 (0.49) | 0.043 (0.41) |
| I/> (outer shell) | 15.1 (2.1) | 31.4 (1.98) |
| Refinement | ||
| Rwork2 (%) | 23.6 | 20.6 |
| Rfree3 (%) | 26.9 | 24.6 |
| R.m.s.d. bond length | 0.009 Å | 0.006 Å |
| R.m.s.d. bond angle | 1.18° | 1.03° |
| Ramachandran favored (%) | 92.8 | 96.6 |
| Ramachandran outliers (%) | 0.2 | 0.0 |
| Average B factor (Å2) | 76.9 | 70.6 |