Table I. X-ray crystallographic statistics.
| Synchrotron | Swiss Light Source X10SA |
|---|---|
| Processing | |
| Wavelength (Å) | 1.0 |
| Resolution (Å) | 40.11–1.4 (1.44–1.4) |
| Space group | R3:H |
| Unit cell (Å) | a = b = 101.09, c = 90.24 |
| Total reflections | 675,500 (47,151) |
| Unique reflections | 64,669 (5,013) |
| Completeness (%) | 100 (100) |
| I/σ(I) | 9.13 (1.05) |
| CC1/2 | 99.6 (45.6) |
| Rmeas (%) | 14.3 (232.3) |
| Wilson B-factor | 20.6 |
| Refinement | |
| Rwork/Rfree (%) | 16.9/18.6 |
| Ramachandran favored (allowed; %) | 97 (3) |
| RMS, bonds (Å) | 0.014 |
| RMS, angles (°) | 1.82 |
| Number of TLS groups | 18 |
| Average B-factor | |
| Total | 29.1 |
| Macromolecules | 26.4 |
| Ligands | 50.6 |
| Solvent | 33.0 |
| No. of atoms | |
| Macromolecules | 2,629 |
| Ligands | 300 |
| Solvent | 189 |