8UDH

Crystal Structure of Mu class Glutathione-S-Transferase TuGSTm06(Tetur05g05220) in complex with reaction product

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	2022-04-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	H 3
Unit cell lengths	133.473, 133.473, 103.738
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.603 - 2.050
Rwork	0.172
R-free	0.19270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.467
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	2.090
High resolution limit [Å]	2.050	2.050
Rmeas	0.061	0.607
Rpim	0.398	0.396
Number of reflections	41596	2003
<I/σ(I)>	20.2	1.5
Completeness [%]	96.2	94.7
Redundancy	2.3	2.1
CC(1/2)	0.990	0.733

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	2.4 M sodium malonate