23LO
crystal structure of a flavin dependent Baeyer Villiger monooxygenase from Micromonospora lupini NBC_00409 in complex with FAD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-11-27 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97861 |
| Spacegroup name | P 1 |
| Unit cell lengths | 90.911, 115.721, 120.203 |
| Unit cell angles | 117.73, 92.67, 111.32 |
Refinement procedure
| Resolution | 49.730 - 3.200 |
| R-factor | 0.2607 |
| Rwork | 0.259 |
| R-free | 0.28830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.541 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.21.2_5419: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.730 | 3.280 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.116 | 0.691 |
| Rmeas | 0.137 | 0.834 |
| Rpim | 0.071 | 0.937 |
| Number of reflections | 61123 | 4583 |
| <I/σ(I)> | 6.2 | |
| Completeness [%] | 95.0 | |
| Redundancy | 1 | 1 |
| CC(1/2) | 0.982 | 0.345 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 9 | 289 | 0.1M Bicine and 20% PEG 6000 |
