29KY
L-DOPA extradiol dioxygenase from Beta vulgaris
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-01-26 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.600, 58.520, 52.710 |
| Unit cell angles | 90.00, 109.18, 90.00 |
Refinement procedure
| Resolution | 20.600 - 1.110 |
| R-factor | 0.1424 |
| Rwork | 0.142 |
| R-free | 0.16030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.949 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.010 | 1.180 |
| High resolution limit [Å] | 1.110 | 1.110 |
| Rmeas | 0.072 | 1.672 |
| Number of reflections | 105322 | 16950 |
| <I/σ(I)> | 11.7 | 1 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.53 | 5.9 |
| CC(1/2) | 0.999 | 0.524 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 50 mM magnesium chloride, 200 mM sodium chloride, 0.1 M HEPES 7.5, 25% PEG 3350 |
