1EV9

RAT GLUTATHIONE S-TRANSFERASE A1-1 MUTANT W21F 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	1997-09-29
Detector	RIGAKU RAXIS IIC
Spacegroup name	C 2 2 21
Unit cell lengths	84.700, 275.100, 70.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.800 * - 2.200
R-factor	0.236 *
Rwork	0.236
R-free	0.29900
RMSD bond length	0.013
RMSD bond angle	2.500
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]	1.980 *	1.980 *
Rmerge	0.085 *	0.670 *
Number of reflections	57919 *	8678 *
<I/σ(I)>	13.6
Completeness [%]	97.0 *	88 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	10.5	298	0.2M lithium sulfate, 50% saturated ammonium sulfate, 0.1M 3-cyclohexylamino-1-propane sulfonic acid (CAPS), pH 10.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	3-[cyclohexylaminoo]-1-propane sulfonic acid	0.1 (M)
3	1	drop		0.2 (M)
4	1	drop	ammonium sulfate	50 (%sat)