7N2W
The crystal structure of an FMN-dependent NADH-azoreductase, AzoA in complex with Red 40
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-03-16 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.407, 83.336, 87.305 |
| Unit cell angles | 90.00, 100.26, 90.00 |
Refinement procedure
| Resolution | 19.960 - 2.650 |
| R-factor | 0.252 |
| Rwork | 0.249 |
| R-free | 0.30200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6dxp |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.960 | 2.780 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.174 | 0.703 |
| Number of reflections | 23952 | |
| <I/σ(I)> | 5.4 | |
| Completeness [%] | 96.2 | 81.4 |
| Redundancy | 3.5 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9.5 | 291 | 1.26 M ammonium sulfate, 0.2 M NaCl and 0.1 M CHES pH 9.5 |
