9PZ4

Crystal structure of 2-methoxyhydroquinone dioxygenase (MhdA) from Gelatoporia subvermispora

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	86.650, 176.170, 184.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.260 - 2.250
R-factor	0.17
Rwork	0.168
R-free	0.21540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.648
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.300	39.300	2.310
High resolution limit [Å]	2.250	10.060	2.250
Rmerge	0.424	0.074	2.197
Rmeas	0.446	0.079	2.316
Number of reflections	133946	1652	9831
<I/σ(I)>	7.36
Completeness [%]	99.9
Redundancy	10.6
CC(1/2)	0.989	0.993	0.657

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.2 M Ammonium Sulfate, 0.1 M Tris.HCl, 20% PEG Smear Broad