1SIJ
Crystal structure of the Aldehyde Dehydrogenase (a.k.a. AOR or MOP) of Desulfovibrio gigas covalently bound to [AsO3]-
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-11-29 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.939 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 142.780, 142.780, 161.577 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.300 |
| R-factor | 0.207 |
| Rwork | 0.181 |
| R-free | 0.22283 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1HLR |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.100 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.122 | 0.212 |
| Number of reflections | 40781 | |
| <I/σ(I)> | 6.6 | 3.7 |
| Completeness [%] | 92.8 | 91.2 |
| Redundancy | 2.6 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 278 | isopropanol, magnesium chloride, HEPES, sodium arsenite, pH 7.6, VAPOR DIFFUSION, SITTING DROP, temperature 278K |
