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 |