8Z4Q
The crystal structure of a Hydroquinone Dioxygenase PaD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE TPS 05A |
Synchrotron site | NSRRC |
Beamline | TPS 05A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-05-19 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9998 |
Spacegroup name | P 62 |
Unit cell lengths | 120.209, 120.209, 93.305 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 24.560 - 1.680 |
R-factor | 0.22071 |
Rwork | 0.219 |
R-free | 0.24416 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.787 |
Data reduction software | SAINT |
Data scaling software | SAINT |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 1.740 |
High resolution limit [Å] | 1.680 | 1.680 |
Number of reflections | 87221 | 8727 |
<I/σ(I)> | 33.16 | 2.63 |
Completeness [%] | 99.5 | |
Redundancy | 6.3 | |
CC(1/2) | 0.998 | 0.866 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 298 | 0.1 M Tris pH 8.0, 25% PEG 1000, 0.1 M Sodium Malonate pH 8.0 |