6ON1
A resting state structure of L-DOPA dioxygenase from Streptomyces sclerotialus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-05 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 99.977, 45.215, 131.153 |
| Unit cell angles | 90.00, 105.20, 90.00 |
Refinement procedure
| Resolution | 33.325 - 1.982 |
| R-factor | 0.2086 |
| Rwork | 0.207 |
| R-free | 0.25580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | SeMet-substituted |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.769 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.020 |
| High resolution limit [Å] | 1.990 | 5.400 | 1.990 |
| Rmerge | 0.091 | 0.074 | 0.356 |
| Rmeas | 0.099 | 0.081 | 0.386 |
| Rpim | 0.039 | 0.032 | 0.147 |
| Total number of observations | 510762 | ||
| Number of reflections | 76745 | 4038 | 3509 |
| <I/σ(I)> | 7 | ||
| Completeness [%] | 96.9 | 96.3 | 91.1 |
| Redundancy | 6.7 | 6.5 | 6.2 |
| CC(1/2) | 0.994 | 0.972 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | 0.1 M Tris-HCl pH 8.5, 0.2 M MgCl2, 16% PEG 8000 |
