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 |