8UDA

Crystal Structure of Mu class Glutathione-S-Transferase, TuGSTm12(Tetur05g05300) from Tetranychus urticae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-29
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.000
Spacegroup name	P 61 2 2
Unit cell lengths	60.086, 60.086, 472.821
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.056 - 2.800
Rwork	0.211
R-free	0.27090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.283
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.870
High resolution limit [Å]	2.800	2.800
Rmeas	0.117	1.012
Rpim	0.037	0.256
Number of reflections	13059	899
<I/σ(I)>	31.2	2
Completeness [%]	93.8	100
Redundancy	10.8	15.2
CC(1/2)	0.997	0.753

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	0.1 M sodium malonate pH 6.0 and 12% w/v polyethylene glycol 3,350