7DW2

Crystal structure of a glutathione S-transferase SbGSTU6 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 PILATUS3 6M
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	53.146, 103.146, 186.163
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.030 - 1.740
R-factor	0.1932
Rwork	0.193
R-free	0.22730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7dw1
RMSD bond length	0.010
RMSD bond angle	1.065
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]	42.420	1.970
High resolution limit [Å]	1.740	1.740
Number of reflections	104707	10155
<I/σ(I)>	1.65
Completeness [%]	95.8
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	L-Proline, magnesium acetate tetrahydrate, HEPES, sodium cacodylate trihydrate