Table 1.
Summary of crystallographic data
| Crystal | Cyt b6f with stigmatellin (PDB ID 4PV1) |
|---|---|
| Data collection | |
| Beamline | APS-19-ID |
| Wavelength (Å) | 0.979 |
| Space group | P6122 |
| Cell dimensions | |
| a, b, c (Å) | 159.1, 159.1, 361.3 |
| α, β, γ (°) | 90, 90, 120 |
| Resolution (Å) | 50.00–3.00 (3.05–3.00) |
| CC∗ | 0.96 (0.81) |
| Rpim (%) | 3.5 (64.7) |
| Completeness (%) | 91.4 (38.0) |
| Redundancy | 9.8 (5.0) |
| Refinement | |
| Resolution (Å) | 49.34–3.00 |
| Reflections | 50203 |
| Rwork (%)/Rfree (%)a | 21.6/24.7 |
| Ramachandran statistics | |
| Favored (%) | 91.8 |
| Allowed (%) | 7.8 |
| Unfavored (%) | 0.4 |
| Rotamer outliers (%) | 0.4 |
| Number of atoms | |
| Protein | 7330 |
| Ligand/ion | 703 |
| Water | 16 |
| Wilson B-factor (Å2) | 96.6 |
| B-factor (Å2, average) | |
| Protein | 115.4 |
| Ligand/ion | 109.0 |
| Water | 88.0 |
| Root mean-square deviation | |
| Bond lengths (Å) | 0.004 |
| Bond angles (°) | 0.646 |
| Coordinate error (maximum likelihood, Å) | 0.4 |
Values in parentheses correspond to the outer shell; a5.1% of reflections included in the Rfree test set.