1BX9

GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH HERBICIDE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	287
Spacegroup name	C 2 2 21
Unit cell lengths	59.000, 88.830, 89.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.600
R-factor	0.196
Rwork	0.196
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	2.660
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	8.000
High resolution limit [Å]	2.600
Rmerge	0.102	0.365 *
Number of reflections	7598
Completeness [%]	97.8	81.3 *
Redundancy	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7		pH 7.00

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	drop	FOE-4053-GSH conjugate	20 (mM)
3	1	reservoir	HEPES	0.1 (M)
4	1	reservoir	ammonium sulfate	0.1 (M)
5	1	reservoir	PEG4000	22.5 (%(w/v))