2OIZ
Crystal Structure of the Tryptamine-Derived (Indol-3-Acetamide)-TTQ Adduct of Aromatic Amine Dehydrogenase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X11 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 70.944, 88.705, 80.222 |
Unit cell angles | 90.00, 90.36, 90.00 |
Refinement procedure
Resolution | 15.000 - 1.050 |
R-factor | 0.118 |
Rwork | 0.117 |
R-free | 0.14100 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.014 |
RMSD bond angle | 1.585 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.2.0011) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 1.070 |
High resolution limit [Å] | 1.050 | 1.050 |
Rmerge | 0.064 | 0.463 |
Number of reflections | 383635 | |
<I/σ(I)> | 16.5 | 1.9 |
Completeness [%] | 83.6 | 73 |
Redundancy | 2.6 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 292 | PEG 2000 MME, AMMONIUM SULPHATE, SODIUM CACODYLATE, TRYPTAMINE, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 292K |