3D9D
Nitroalkane oxidase: mutant D402N crystallized with 1-nitrohexane
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-09 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 107.875, 107.875, 338.442 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.100 |
| R-factor | 0.182 |
| Rwork | 0.180 |
| R-free | 0.21900 |
| Structure solution method | MOLREP |
| Starting model (for MR) | 2c12 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.525 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.089 | 0.447 |
| Number of reflections | 391270 | |
| <I/σ(I)> | 13.72 | 1.2 |
| Completeness [%] | 91.9 | 62.1 |
| Redundancy | 3.2 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 20-30mM PEG 3350, 20-35% glycerol, 0.1M NaCacodylate, pH 7.50, vapor diffusion, hanging drop, temperature 298K |
