2IUR
CRYSTAL STRUCTURE OF N-QUINOL FORM OF AROMATIC AMINE DEHYDROGENASE (AADH) FROM ALCALIGENES FAECALIS, FORM A COCRYSTAL
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.824, 88.462, 81.001 |
| Unit cell angles | 90.00, 90.32, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.300 |
| R-factor | 0.157 |
| Rwork | 0.156 |
| R-free | 0.17600 |
| Structure solution method | OTHER |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.212 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.1.9999) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.350 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.080 | 0.320 |
| Number of reflections | 232706 | |
| <I/σ(I)> | 8.7 | 2.8 |
| Completeness [%] | 95.0 | 92 |
| Redundancy | 2.4 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 292 | PEG 2000 MME, AMMONIUM SULPHATE, SODIUM CACODYLATE, PH 6.0, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 292K |
