Table 2.
Data collection and refinement statistics
| Crystal | Wild type | Triple mutant |
| Wavelength (Å) | 0.9778 | 0.9793 |
| Space group | P21 | P21 |
| Resolution (Å) | 29.6-3.69 (3.80-3.70)a | 56.5-3.5 (3.54-3.50)a |
| Cell dimensions | a = 115.8 Å; b = 100.6 Å; c = 141.6 Å; β = 97.0° | a = 115.8 Å; b = 99.4 Å; c = 140.2 Å; β = 97.4° |
| Number of measured reflections | 117,235 | 313,049 |
| Number of unique reflections | 34,273 | 37,951 |
| Completeness (%) | 98.1 (90.0) | 94.6 (69.5) |
| Redundancy | 3.4 (3.0) | 8.2 (7.2) |
| I/σ(I) | 11.7 (1.2) | 22.0 (1.4) |
| Rmerge (%) | 9.8 (82.0) | 4.4 (111.4) |
| R factor (%) | 31.8 | 28.7 |
| R-freeb (%) | 34.2 | 31.3 |
| RMSD from ideal values | ||
| Bond lengths (Å) | 0.010 | 0.004 |
| Bond angles (°) | 1.28 | 1.48 |
| Ramachandran plot outliersc (%) | 0.7 | 0.7 |
a
Values in parentheses refer to data in the highest resolution shell.
b
Based on 5% of the reflections
c
From MolProbity (Chen et al., 2010).