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