4M0C
The crystal structure of a FMN-dependent NADH-azoreductase from Bacillus anthracis str. Ames Ancestor in complex with FMN.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-08-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.483, 88.709, 98.040 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.726 - 2.073 |
| R-factor | 0.1783 |
| Rwork | 0.176 |
| R-free | 0.22380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3u7i |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.056 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.000 | 2.120 |
| High resolution limit [Å] | 2.073 | 2.080 |
| Rmerge | 0.109 | 0.708 |
| Number of reflections | 26228 | |
| <I/σ(I)> | 19.2 | 2.1 |
| Completeness [%] | 99.4 | 98.8 |
| Redundancy | 5 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 0.2M Zinc Acetate, 0.1M Imidazole:HCl, 10% (w/v) PEG 8000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
