7YJ0
Structural basis of oxepinone formation by a flavin-monooxygenase VibO
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17B1 |
| Synchrotron site | SSRF |
| Beamline | BL17B1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-11-08 |
| Detector | DECTRIS PILATUS3 S 2M |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 1 |
| Unit cell lengths | 77.083, 92.504, 104.639 |
| Unit cell angles | 89.87, 74.92, 75.75 |
Refinement procedure
| Resolution | 34.380 - 2.430 |
| R-factor | 0.1789 |
| Rwork | 0.176 |
| R-free | 0.22970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.147 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 71.979 | 2.467 |
| High resolution limit [Å] | 2.425 | 2.425 |
| Number of reflections | 94891 | 4814 |
| <I/σ(I)> | 6 | 2 |
| Completeness [%] | 92.8 | |
| Redundancy | 3.5 | |
| CC(1/2) | 0.995 | 0.814 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.2 M Ammonium acetate, 0.1 M Tris pH 8.0, 16% w/v Polyethylene glycol 10,000 |
