3U7I
The crystal structure of FMN-dependent NADH-azoreductase 1 (GBAA0966) from Bacillus anthracis str. Ames Ancestor
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 | 2010-06-07 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97917 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 102.802, 113.470, 91.115 |
| Unit cell angles | 90.00, 90.31, 90.00 |
Refinement procedure
| Resolution | 30.916 - 1.750 |
| R-factor | 0.1524 |
| Rwork | 0.151 |
| R-free | 0.17950 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.925 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.000 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.114 | |
| Number of reflections | 105368 | |
| <I/σ(I)> | 17 | 2.1 |
| Completeness [%] | 99.6 | 99.3 |
| Redundancy | 4.9 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.16M MgCl, 0.08M Tris, 24% PEG4000, 20% Glycerol, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
