3IBT
Structure of 1H-3-hydroxy-4-oxoquinoline 2,4-dioxygenase (QDO)
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-01-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97929 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 90.138, 90.138, 168.735 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.600 |
| R-factor | 0.23692 |
| Rwork | 0.237 |
| R-free | 0.27909 |
| Structure solution method | MAD |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.731 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.700 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.055 | 0.168 |
| Number of reflections | 22906 | |
| <I/σ(I)> | 4.2 | |
| Completeness [%] | 96.8 | 83.4 |
| Redundancy | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 277 | 4.1-4.6M Sodium Formate, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
