1GUH

Structure determination and refinement of human alpha class glutathione transferase A1-1, and a comparison with the MU and PI class enzymes

Experimental procedure

Spacegroup name	C 1 2 1
Unit cell lengths	100.800, 95.400, 105.200
Unit cell angles	90.00, 92.40, 90.00

Refinement procedure

Resolution	7.500 * - 2.600
R-factor	0.229
Rwork	0.229
RMSD bond length	0.011
RMSD bond angle	2.800 *
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
High resolution limit [Å]	2.600 *
Rmerge	0.053 *
Total number of observations	46733 *
Number of reflections	25135 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *		20 *	referred to J.Mol.Biol. 208.369-370 1989 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme		0.005ml
2	1	drop	protein	35 (mg/ml)
3	1	drop	ligand	2.5 (mM)
4	1	drop	bistrispropane	50 (mM)
5	1	drop	2-mercaptoethanol	1 (%(v/v))
6	1	drop	PEG2000	20 (%(w/v))
7	1	reservoir	bistrispropane	50 (mM)
8	1	reservoir	2-mercaptoethanol	1 (%(v/v))
9	1	reservoir	PEG2000	20 (%(w/v))