2HXC
Crystal structure of the benzylamine complex of aromatic amine dehydrogenase in N-semiquinone form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-04-10 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.9 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 70.792, 88.593, 79.989 |
Unit cell angles | 90.00, 90.30, 90.00 |
Refinement procedure
Resolution | 15.000 - 1.450 |
Rwork | 0.147 |
R-free | 0.17200 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.012 |
RMSD bond angle | 1.282 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.596 | 1.530 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.061 | 0.350 |
Total number of observations | 90757 | |
Number of reflections | 173851 | |
<I/σ(I)> | 8 | 2.1 |
Completeness [%] | 99.7 | 100 |
Redundancy | 3.6 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 295 | PEG 2000 MME, Ammonium Sulphate, Sodium Cacodylate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K |