3D9E
Nitroalkane oxidase: active site mutant D402N crystallized with 1-nitrooctane
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-06-11 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0809 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 107.996, 107.996, 338.576 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.200 |
| R-factor | 0.195 |
| Rwork | 0.193 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2c12 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.353 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.060 | 0.434 |
| Number of reflections | 110228 | |
| <I/σ(I)> | 11.2 | 1.4 |
| Completeness [%] | 93.8 | 64.9 |
| Redundancy | 5.5 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 20-30 mM PEG 3350, 20-35% glycerol, 0.1M NaCacodylate, pH 7.5, vapor diffusion, hanging drop, temperature 298K |
