2OJY
Crystal structure of indol-3-acetaldehyde derived TTQ-amide adduct of aromatic amine dehydrogenase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 70.890, 88.810, 80.390 |
Unit cell angles | 90.00, 90.62, 90.00 |
Refinement procedure
Resolution | 15.000 - 1.600 |
R-factor | 0.17445 |
Rwork | 0.172 |
R-free | 0.21201 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.015 |
RMSD bond angle | 1.598 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.062 | 0.367 |
Number of reflections | 115670 | |
<I/σ(I)> | 7.6 | 1.8 |
Completeness [%] | 88.0 | 90 |
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 |