7GSS

Human glutathione S-transferase P1-1, complex with glutathione

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1995-10-28
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	68.760, 78.870, 89.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.200
R-factor	0.218
Rwork	0.218
R-free	0.25900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gss
RMSD bond length	0.007 *
RMSD bond angle	1.300 *
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	2.250
High resolution limit [Å]	2.200	2.200
Rmerge	0.133 *	0.382 *
Total number of observations	79057 *
Number of reflections	21054
<I/σ(I)>	9.4	3.3
Completeness [%]	83.0	86
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7 *	22 *	pH 6.2

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	reservoir	ammonium sulfate	20-34 (%(w/v))
6	1	reservoir	dithiothreitol	50-80 (mM)
7	1	reservoir	MES	100 (mM)