1Q4J

Crystal Structure of Pf-GST1 with its inhibitor s-hexyl-GSH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Spacegroup name	P 21 21 2
Unit cell lengths	61.168, 86.917, 74.818
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.200
R-factor	0.213
Rwork	0.210
R-free	0.25700 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.400 *
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.750
High resolution limit [Å]	2.150	2.150 *
Rmerge	0.055 *	0.310 *
Number of reflections	22273 *
Completeness [%]	99.4 *	99.8 *
Redundancy	6.4 *	5.9 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6 *		Burmeister, C., (2003) Acta Cryst., D59, 1469. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7 (mg/ml)
2	1	reservoir	ammonium sulfate	2.1 (M)
3	1	reservoir	sodium cacodylate	0.1 (M)	pH6.0
4	1	reservoir	glutathione	2 (mM)