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 |
