7DW1

Crystal structure of a glutathione S-transferase SbGSTU6 from Salix babylonica in complex with glutathione

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 PILATUS3 6M
Wavelength(s)	0.987
Spacegroup name	C 1 2 1
Unit cell lengths	122.013, 48.163, 83.990
Unit cell angles	90.00, 110.83, 90.00

Refinement procedure

Resolution	30.900 - 2.270
R-factor	0.2767
Rwork	0.273
R-free	0.30990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kej
RMSD bond length	0.016
RMSD bond angle	1.501
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]	30.900	2.590
High resolution limit [Å]	2.270	2.270
Number of reflections	17442
<I/σ(I)>	1.46
Completeness [%]	82.1
Redundancy	6.56
CC(1/2)	1.000	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	289.15	L-Proline, magnesium, HEFHS, sodium cacodylate trihydrate