2GJN
crystal structure of 2-nitropropane dioxygenase complexed with FMN and substrate
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-12-03 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9791, 0.9749, 0.9500 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 93.005, 93.005, 80.502 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 15.000 - 2.300 |
Rwork | 0.188 |
R-free | 0.23200 |
Structure solution method | MAD |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.280 |
High resolution limit [Å] | 2.200 | 4.730 | 2.200 |
Rmerge | 0.077 | 0.039 | 0.339 |
Number of reflections | 20734 | 2137 | 2049 |
<I/σ(I)> | 11 | ||
Completeness [%] | 99.0 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 297 | 0.1M HEPES at pH 7.0, 5%(w/v) tacsimate at pH 7.0, 10%(w/v) PEG MME 5000, VAPOR DIFFUSION, HANGING DROP, temperature 297K |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 297 | 0.1M HEPES at pH 7.0, 5%(w/v) tacsimate at pH 7.0, 10%(w/v) PEG MME 5000, VAPOR DIFFUSION, HANGING DROP, temperature 297K |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 297 | 0.1M HEPES at pH 7.0, 5%(w/v) tacsimate at pH 7.0, 10%(w/v) PEG MME 5000, VAPOR DIFFUSION, HANGING DROP, temperature 297K |