8UDD

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	2021-08-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	59.492, 69.918, 118.050
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.967 - 2.650
Rwork	0.212
R-free	0.26170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.319
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	2.710
High resolution limit [Å]	2.650	2.650
Rmeas	0.061	0.667
Rpim	0.023	0.297
Number of reflections	14919	637
<I/σ(I)>	29	1.5
Completeness [%]	98.8	86.1
Redundancy	6.9	4.2
CC(1/2)	0.998	0.829

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.2 M magnesium chloride hexahydrate, 0.1M Tris pH 8.5, and 25% w/v polyethylene glycol 3,350