7DWF

Crystal structure of a glutathione S-transferase mutant SbGSTU7(T53I) 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 41
Unit cell lengths	55.055, 55.055, 182.635
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.620 - 2.210
R-factor	0.2165
Rwork	0.215
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7dwd
RMSD bond length	0.014
RMSD bond angle	1.184
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]	29.620	2.290
High resolution limit [Å]	2.210	2.210
Number of reflections	26786	2565
<I/σ(I)>	6.03
Completeness [%]	98.9
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	HEPES sodium, PEG400, Ammonium sulfate