1EV4

RAT GLUTATHIONE S-TRANSFERASE A1-1: MUTANT W21F/F220Y WITH GSO3 BOUND

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	1997-11-01
Detector	RIGAKU RAXIS IIC
Spacegroup name	C 2 2 21
Unit cell lengths	84.600, 275.200, 70.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.800 * - 2.200
R-factor	0.218 *
Rwork	0.218
R-free	0.28600 *
RMSD bond length	0.011
RMSD bond angle	2.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.880
High resolution limit [Å]	1.880 *	1.880 *
Rmerge	0.050 *	0.290 *
Number of reflections	58664	4452 *
<I/σ(I)>	14.6
Completeness [%]	85.0 *	45 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.1M HEPES, 60% saturated ammonium sulfate, 1 mM S-hexyl glutathione , pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	HEPES	0.1 (M)
2	1	drop	S-hexyl-glutathione	1 (mM)
3	1	drop	ammonium sulfate	60 (%sat)
4	1	drop	protein	10 (mg/ml)