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) |