Table 2.
Refinement statistics for CsE-v2
| Small cell | Large cell | |
| Space Group | P3221 | P3121 |
| Resolution range (Å) | 50.0–2.80 | 50.0–2.20 |
| Number of reflections (total) | 1609 | 6460 |
| Working set | 1528 | 6098 |
| Test set | 81 | 362 |
| Completeness (%) | 99.2 | 99.5 |
| R value | 0.229 | 0.255 |
| Free R value | 0.281 | 0.287 |
| Highest resolution shell (Å) | 2.98–2.80 | 2.34–2.20 |
| Number of reflections (total) | 260 | 1061 |
| Working set | 252 | 1007 |
| Test set | 8 | 54 |
| Completeness (%) | 96.7 | 99.6 |
| R value | 0.286 | 0.319 |
| Free R value | 0.283 | 0.395 |
| Number of protein atoms | 498 | 1000 |
| Number of water molecules | 0 | 27 |
| Estimated coordinate error (Å) | 0.33 | 0.31 |
| Deviations from ideality | ||
| Bond lengths (Å) | 0.007 | 0.008 |
| Bond angles (°) | 1.4 | 1.4 |
| Dihedral angles (°) | 24.5 | 22.5 |
| Improper angles (°) | 1.3 | 1.3 |
| Temperature factor refinement | ||
| Mean B value (Å2) | 20.1 | 19.2 |
| Rmsd main-chain bond (Å2) | 1.69 | 2.07 |
| Rmsd main-chain angle (Å2) | 2.77 | 3.00 |
| Rmsd side-chain bond (Å2) | 2.70 | 3.49 |
| Rmsd side-chain angle (Å2) | 3.98 | 4.73 |