4Q4K
Crystal structure of nitronate monooxygenase from Pseudomonas aeruginosa PAO1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-17 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.124, 54.517, 88.506 |
| Unit cell angles | 90.00, 96.01, 90.00 |
Refinement procedure
| Resolution | 37.600 - 1.440 |
| R-factor | 0.20448 |
| Rwork | 0.203 |
| R-free | 0.24045 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.986 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.480 |
| High resolution limit [Å] | 1.430 | 1.430 |
| Rmerge | 0.456 | |
| Number of reflections | 115873 | |
| <I/σ(I)> | 3.04 | |
| Completeness [%] | 94.1 | 68.9 |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 298 | 14% PEG 5000 monomethylether, 0.1M HEPES-Na, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
