7F76
Crystal Structure of FMN-dependent NADPH-quinone reductase (azoR) from Bacillus cohnii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-26 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 50.849, 77.552, 95.495 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.790 - 1.570 |
| R-factor | 0.1666 |
| Rwork | 0.165 |
| R-free | 0.19090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gfr |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.689 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP (11.7.03) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.710 |
| High resolution limit [Å] | 1.570 | 1.570 |
| Rmerge | 0.052 | 0.741 |
| Rmeas | 0.055 | 0.821 |
| Rpim | 0.018 | 0.343 |
| Number of reflections | 45768 | 1882 |
| <I/σ(I)> | 28 | 2.2 |
| Completeness [%] | 98.1 | 86.1 |
| Redundancy | 9.2 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 35% 2-propanol, 0.1 M Tris/HCl (pH 8.5) |
