2I0T
Crystal structure of phenylacetaldehyde derived R-carbinolamine adduct of aromatic amine dehydrogenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| 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 | 70.524, 88.451, 80.164 |
| Unit cell angles | 90.00, 90.45, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.350 |
| Rwork | 0.152 |
| R-free | 0.17500 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.412 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 1.420 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.084 | 0.328 |
| Number of reflections | 215552 | |
| <I/σ(I)> | 10.2 | 3.2 |
| Completeness [%] | 99.0 | 98 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 295 | PEG 2000 mme, ammonium sulphate, sodium cocadylate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
