2AH0
Crystal structure of the carbinolamine intermediate in the reductive half-reaction of aromatic amine dehydrogenase (AADH) with tryptamine. Monoclinic form
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 |
Wavelength(s) | 0.8 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 70.717, 89.660, 80.823 |
Unit cell angles | 90.00, 90.41, 90.00 |
Refinement procedure
Resolution | 15.000 - 1.450 |
R-factor | 0.169 |
Rwork | 0.167 |
R-free | 0.20000 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.013 |
RMSD bond angle | 1.270 |
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 | 1.500 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.065 | 0.423 |
Number of reflections | 174584 | |
<I/σ(I)> | 16.1 | 2.1 |
Completeness [%] | 98.0 | 82 |
Redundancy | 3.4 |
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 |