1EOG

CRYSTAL STRUCTURE OF PI CLASS GLUTATHIONE TRANSFERASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	AREA DETECTOR
Collection date	1999-08-01
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	79.870, 91.010, 69.070
Unit cell angles	90.00, 98.78, 90.00

Refinement procedure

Resolution	50.000 - 2.100
R-factor	0.2036
Rwork	0.204
R-free	0.23800 *
RMSD bond length	0.007 *
RMSD bond angle	1.260 *
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.100
Rmerge	0.080 *	0.361 *
Total number of observations	48527 *
Number of reflections	23250
Completeness [%]	91.6 *
Redundancy	1.8 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7 *	22 *	25% ammonium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 20K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	4.0 (mg/ml)
2	1	drop	HEPES	10 (mM)
3	1	reservoir	ammonium sulfate	20-25 (%(w/v))
4	1	reservoir	dithiothreitol	60 (mM)
5	1	reservoir	MES	100 (mM)