6JI6

Crystal structure of glutathione S-transferase complexed and modified with glutathione

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2018-02-27
Detector	DECTRIS PILATUS3 S 2M
Wavelength(s)	1.000
Spacegroup name	P 43 21 2
Unit cell lengths	93.708, 93.708, 57.609
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.500
R-factor	0.19242
Rwork	0.191
R-free	0.22370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ua5
RMSD bond length	0.009
RMSD bond angle	1.467
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.550
High resolution limit [Å]	1.500	1.500
Rmeas	0.192	0.742
Rpim	0.039	0.215
Number of reflections	40217	4070
<I/σ(I)>	16.2	2.6
Completeness [%]	97.2	100
Redundancy	22.3	11.2
CC(1/2)	1.000	0.858

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1M Bis-Tris, 0.4M Ammonium acetate, 26% w/v PEG 3350