3P0R
Crystal structure of azoreductase from Bacillus anthracis str. Sterne
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-08-16 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 70.391, 101.262, 63.134 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.799 |
| R-factor | 0.19038 |
| Rwork | 0.188 |
| R-free | 0.23377 |
| Structure solution method | SAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.556 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MrBUMP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.830 |
| High resolution limit [Å] | 1.799 | 1.799 |
| Rmerge | 0.084 | 0.580 |
| Number of reflections | 21314 | |
| <I/σ(I)> | 32.5 | 3.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 8.1 | 8.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 295 | 2M NH4 Sulfate, 1% PEG2KMME, 0.2M MgCl2, 0.1M Bicine, pH 9, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
