1YWQ
Crystal structure of a nitroreductase family protein from Bacillus cereus ATCC 14579
Experimental procedure
| Experimental method | SAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-12-19 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 80.940, 80.940, 91.674 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.360 - 2.300 |
| R-factor | 0.205 |
| Rwork | 0.205 |
| R-free | 0.24200 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.700 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.093 | 0.650 |
| Number of reflections | 30026 | |
| <I/σ(I)> | 22.74 | 1.41 |
| Completeness [%] | 99.9 | 98.9 |
| Redundancy | 6.5 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 298 | 1.8M Na/K Phosphate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
