2IUP
CRYSTAL STRUCTURE OF DITHIONITE-REDUCED AROMATIC AMINE DEHYDROGENASE (AADH) FROM ALCALIGENES FAECALIS
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 | 70.960, 89.063, 80.802 |
Unit cell angles | 90.00, 90.23, 90.00 |
Refinement procedure
Resolution | 15.000 - 1.800 |
R-factor | 0.148 |
Rwork | 0.147 |
R-free | 0.18000 |
Structure solution method | OTHER |
RMSD bond length | 0.013 |
RMSD bond angle | 1.079 |
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 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.090 | 0.310 |
Number of reflections | 91209 | |
<I/σ(I)> | 12.9 | 4.1 |
Completeness [%] | 98.0 | 96 |
Redundancy | 3.4 | 3 |
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 |