2I0S
Crystal structure of aromatic amine dehydrogenase TTQ-phenylacetaldehyde adduct
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Detector technology | CCD |
| Collection date | 2006-07-25 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.619, 88.821, 79.942 |
| Unit cell angles | 90.00, 90.56, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.400 |
| Rwork | 0.145 |
| R-free | 0.16900 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.408 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.412 | 1.480 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.086 | 0.321 |
| Total number of observations | 97454 | |
| Number of reflections | 192803 | |
| <I/σ(I)> | 4.8 | 2.2 |
| Completeness [%] | 99.5 | 99.1 |
| Redundancy | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 295 | PEG2000 MME, Ammonium Sulphate, Sodium Cocadylate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
