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 |