8Z4R

The crystal structure of a Hydroquinone Dioxygenase PaD with substrate

This is a non-PDB format compatible entry.

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	2023-06-28
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.9998
Spacegroup name	P 62
Unit cell lengths	120.177, 120.177, 92.919
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.530 - 1.810
R-factor	0.18833
Rwork	0.186
R-free	0.22491
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.734
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	1.870
High resolution limit [Å]	1.810	1.810
Number of reflections	69612	6931
<I/σ(I)>	29.4
Completeness [%]	99.6
Redundancy	5.8
CC(1/2)	0.999	0.885

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		298	0.1 M HEPES 7.0; 24% PEG Smear Medium; 7% Tacsimate 7.0