4QIS
Crystal structure of Nitroalkane Oxidase from Pseudomonas aeruginosa
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-12-22 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 69.895, 54.834, 88.202 |
Unit cell angles | 90.00, 95.79, 90.00 |
Refinement procedure
Resolution | 38.921 - 1.906 |
R-factor | 0.1929 |
Rwork | 0.191 |
R-free | 0.24900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bw2 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.129 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.921 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 50640 | |
Completeness [%] | 97.0 | 82.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.9 | 295 | 0.2M Ammonium fluoride, 20% polyethylene glycol 3350, pH 7.9, VAPOR DIFFUSION, HANGING DROP, temperature 295K |