7DW3

Crystal structure of a glutathione S-transferase mutant SbGSTU6(I55T) from Salix babylonica

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.987
Spacegroup name	P 31 2 1
Unit cell lengths	104.882, 104.882, 53.090
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.510 - 1.930
R-factor	0.2189
Rwork	0.217
R-free	0.24130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7dw2
RMSD bond length	0.009
RMSD bond angle	1.098
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.510	2.060
High resolution limit [Å]	1.930	1.930
Number of reflections	25535	2513
<I/σ(I)>	1.89
Completeness [%]	99.9
Redundancy	1
CC(1/2)	1.000	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	289.15	Magnesium acetate tetrahydrate, Sodium cacodylate trihydrate, PEG 8000