7SO8

Crystal structure of Glutathione S-Transferase from Shrimp Litopenaeus vannamei in complex with silver ions and a molecules of Glutathione binding in G-site and H-site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2019-06-12
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	57.390, 93.020, 169.110
Unit cell angles	90.00, 90.75, 90.00

Refinement procedure

Resolution	56.370 - 2.200
R-factor	0.1949
Rwork	0.191
R-free	0.25980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5an1
Data reduction software	XDS (VERSION Jan 26,2018)
Data scaling software	XSCALE (VERSION Jan 26, 2018)
Phasing software	PHASER (7.0.076)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	56.370	3.760	2.370
High resolution limit [Å]	2.200	2.990	2.200
Rmerge	0.618	0.122	0.579
Rmeas	0.751	0.149	0.704
Rpim	0.423	0.084	0.396
Number of reflections	88718	17849	17530
<I/σ(I)>	6.6	8.7	2.1
Completeness [%]	98.2	98.7	97.6
Redundancy	3.104	3.1	3.1
CC(1/2)	0.627	0.983	0.660

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.5	277.15	100 mM ammonium sulphate, 100 Bis-Tris pH 6.5, 30% PEG 3350, 300 uM silver nitrate