8ORA
Human holo aromatic L-amino acid decarboxylase (AADC) external aldimine with L-Dopa methylester
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-11-28 |
| Detector | DECTRIS PILATUS3 X 2M |
| Wavelength(s) | 0.87313 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 107.642, 107.642, 218.242 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.890 - 2.400 |
| R-factor | 0.2134 |
| Rwork | 0.213 |
| R-free | 0.22660 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.505 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | FFT |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.270 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.105 | 0.507 |
| Number of reflections | 28904 | 3001 |
| <I/σ(I)> | 17.6 | 5.1 |
| Completeness [%] | 97.2 | |
| Redundancy | 13.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293.15 | 0.1 M Hepes, 40% PEG 200 |
