6QU0
Structure of azoreductase from Bacillus sp. A01
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2018-11-28 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.54179 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 47.209, 92.970, 103.040 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.960 - 1.800 |
| R-factor | 0.20975 |
| Rwork | 0.208 |
| R-free | 0.23418 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3w7a |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.632 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.920 | 1.830 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Number of reflections | 43095 | |
| <I/σ(I)> | 8.4 | |
| Completeness [%] | 99.0 | |
| Redundancy | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 294.15 | 0.15M ammonium sulfate 25% PEG 4000 |
