1GTB

CRYSTAL STRUCTURES OF A SCHISTOSOMAL DRUG AND VACCINE TARGET: GLUTATHIONE S-TRANSFERASE FROM SCHISTOSOMA JAPONICA AND ITS COMPLEX WITH THE LEADING ANTISCHISTOSOMAL DRUG PRAZIQUANTEL

Experimental procedure

Spacegroup name	P 63 2 2
Unit cell lengths	123.800, 123.800, 70.200
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	7.000 * - 2.600
R-factor	0.212
Rwork	0.212
RMSD bond length	0.015
RMSD bond angle	1.800
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
Low resolution limit [Å]	7.000
High resolution limit [Å]	2.600
Rmerge	0.066 *
Number of reflections	9611
Completeness [%]	99.0 *
Redundancy	3.5 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.6 *	22 *	McTigue, M.A., (1995) Protein struct. func. gen., 22, 55. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10-20 (mg/ml)
2	1	reservoir	ammonium sulfate	48-50 (%sat)
3	1	reservoir	sodium acetate	0.1 (M)