Table 7. Statistics of Data Collection and Refinement of the Crystal Structure of ChiAB-FYSFV.
| data collection statistics | SmChiAB-FYSFV (PDB ID: 5ZL9) |
|---|---|
| beam line | Aichi SR BL2S1 |
| wavelength (Å) | 1.12 |
| space group | C2221 |
| unit cell parameters (Å) | a = 71.8, b = 190.2, c = 132.9 |
| exposure time (frame/s) | 10 |
| number of frames | 360 (ω = 1°) |
| resolution (Å) | 47.5–2.6 (2.69–2.6) |
| observed/unique reflections | 418 227/28 411 |
| multiplicity | 14.7 (14.7) |
| completeness (%) | 100 (100) |
| Rmerge (%) | 19.8 (101.4) |
| mean ⟨I/σ(I)⟩ | 14.5 (2.6) |
| refinement statistics | SmChiAB-FYSFV (PDB ID: 5ZL9) |
|---|---|
| Rwork/Rfree | 18.8/20.5 |
| rmsd bonds (Å) | 0.004 |
| rmsd angles (deg) | 0.845 |
| atoms | 4704 |
| solvent molecules | 292 |
| Ramachandran plot | SmChiAB-FYSFV (PDB ID: 5ZL9) |
|---|---|
| favored (%) | 95.7 |
| allowed | 3.3 |
| outliners (%) | 1.0 |
| rotamer outliners (%) | 0.4 |