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 |