9N2A
Crystal structure of N-oxygenase HrmI with the diferrous cofactor and substrate bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-09-05 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 1.54184 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 112.089, 112.089, 67.255 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 17.920 - 2.140 |
| R-factor | 0.1687 |
| Rwork | 0.166 |
| R-free | 0.20050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.820 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 17.920 | 2.220 |
| High resolution limit [Å] | 2.140 | 2.140 |
| Number of reflections | 27105 | 2666 |
| <I/σ(I)> | 17.61 | 3.64 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 9.8 | 9.7 |
| CC(1/2) | 0.998 | 0.874 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | Ammonium sulfate and HEPES pH 7.5 |
