7QWT
Rieske non-heme iron monooxygenase for guaiacol O-demethylation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-10-15 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97628 |
| Spacegroup name | H 3 |
| Unit cell lengths | 315.580, 315.580, 189.962 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 157.790 - 3.712 |
| Rwork | 0.174 |
| R-free | 0.21590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Alphafold model |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.734 |
| Data reduction software | autoPROC |
| Data scaling software | STARANISO |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 157.790 | 3.932 |
| High resolution limit [Å] | 3.710 | 3.713 |
| Rmerge | 0.398 | 1.988 |
| Rmeas | 0.418 | 2.094 |
| Rpim | 0.127 | 0.650 |
| Number of reflections | 65629 | 3282 |
| <I/σ(I)> | 1.2 | 1.436 |
| Completeness [%] | 88.0 | 100 |
| Redundancy | 10.1 | 10.08 |
| CC(1/2) | 0.989 | 0.373 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 1.0 M Ammonium citrate tribasic, 0.1 M Bistris propane |
