10GS

HUMAN GLUTATHIONE S-TRANSFERASE P1-1, COMPLEX WITH TER117

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	288
Detector technology	IMAGE PLATE
Collection date	1996-04-08
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	79.723, 90.460, 69.404
Unit cell angles	90.00, 98.19, 90.00

Refinement procedure

Resolution	15.000 - 2.200
R-factor	0.1762
Rwork	0.176
R-free	0.21460 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gss
RMSD bond length	0.006
RMSD bond angle	22.000 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.079 *	0.178 *
Total number of observations	61110 *
Number of reflections	22104 *
<I/σ(I)>	12.5	17.8
Completeness [%]	90.0 *	81 *
Redundancy	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7 *	22 *	pH 5.8

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8 (mg/ml)
2	1	drop	phosphate	10 (mM)
3	1	drop	EDTA	1 (mM)
4	1	drop	mercaptoethanol	2 (mM)
5	1	drop	TER-117
6	1	reservoir	ammonium sulfate	20-34 (%(w/v))
7	1	reservoir	dithiothreitol	50-80 (mM)
8	1	reservoir	MES	100 (mM)