Table 3.
X-ray data collection and structure refinement
| Parameter | GES-18 |
|---|---|
| Data collection statistics | |
| Unit cell parameters (Å) | |
| a | 74.184 |
| b | 80.506 |
| c | 87.748 |
| Space group | P212121 |
| Molecules/asymmetric unit | 2 |
| Resolution range (Å) | 25–1.87 |
| No. of observations | 336,536/45,819 |
| No. of unique reflections | 43,240/5,966 |
| Overall completeness (%) | 96.2/90.7 |
| I/σI | 32.8/5.9 |
| Multiplicity | 7.8/4.3 |
| Rsym | 0.051/0.267 |
| Refinement statistics | |
| Resolution range (Å) | 25–1.9 |
| No. of reflections | 41,653 |
| No. of atoms (non-H) | 4,741 |
| Rwork | 0.1576 |
| Rfree | 0.1955 |
| RMSD from ideal | |
| Bond (Å) | 0.009 |
| Angle (°) | 1.418 |