8R2V

Crystal structure of hydroxyquinol-1,2-dioxygenase from Gelatoporia subvermispora (GsHDX1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-01-29
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	48.433, 148.662, 157.746
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	108.189 - 1.780
Rwork	0.173
R-free	0.19710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.529
Data reduction software	autoPROC
Data scaling software	STARANISO
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0411)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	108.189	1.971
High resolution limit [Å]	1.777	1.777
Rmerge	0.175	1.942
Rpim	0.049	0.526
Number of reflections	79137	3957
<I/σ(I)>	11	1.6
Completeness [%]	94.5	67.7
Redundancy	13.7	14.5
CC(1/2)	0.999	0.638

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Structure Screen 1+2 from Molecular Dimensions condition F11 (1.6 M ammonium sulfate, 10% 1,4-dioxane, 0.1 M MES pH 6.5)