Table 1.
Data collection and refinement statistics
| Crystal | Repeat34 wild type | Repeat34 S2946D |
|---|---|---|
| λ for data collection (Å) | 0.9795 | 0.9795 |
| Data collection | ||
| Space group | P 31 2 1 | P 31 2 1 |
| Cell dimension (Å) | ||
| a, b, c (Å) | 55.99|55.99|132.59 | 55.82|55.82|131.55 |
| α, β, γ, (°) | 90.00, 90.00, 120.00 | 90.00, 90.00, 120.00 |
| Resolution | 28–1.85 (1.91–1.85) | 27.91–1.53 (1.58–1.53) |
| Rmerge† | 0.068 (0.715) | 0.109 (0.507) |
| Average I/σ(I) | 25.75 (2.5) | 27.88 (2.07) |
| Completeness (%) | 99.85 (99.04) | 99.61 (96.28) |
| Redundancy | 9.6 (9.9) | 8.3 (4.6) |
| Z | 1 | 1 |
| Refinement | ||
| Resolution | 28–1.85 Å | 27.91–1.53 Å |
| No. of reflections | 21,341 | 36,581 |
| Rfactor/Rfree (10% data) | 0.186/0.234 | 0.190/0.225 |
| RMSD length (Å) | 0.012 | 0.020 |
| RMSD angle (°) | 1.04 | 1.55 |
| No. of atom | ||
| Protein | 1762 | 1851 |
| Ligands | 22 | 65 |
| Water | 179 | 214 |
| Ramachandran plot (%) | ||
| Most favored | 98.94 | 99.47 |
| Additionally allowed | 1.06 | 0.53 |
Values in parentheses refer to the highest resolution shell