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 |