1AQW

GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH GLUTATHIONE

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	291
Detector technology	IMAGE PLATE
Collection date	1995-08-15
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	90.290, 74.670, 69.500
Unit cell angles	90.00, 90.07, 90.00

Refinement procedure

Resolution	8.000 - 1.800
R-factor	0.206
Rwork	0.206
R-free	0.26100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	21.756 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((AGROVATA)
Phasing software	AMoRE
Refinement software	X-PLOR (3.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.600	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.075	0.388
Total number of observations	164829 *
Number of reflections	80112
Completeness [%]	93.7
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.5	20 *	pH 6.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	PEG8000	10 (%)
2	1	drop	MES-NaOH	33 (mM)
3	1	drop		67 (mM)
4	1	drop	protein	13 (mg/ml)
5	1	reservoir	PEG8000	30 (%)
6	1	reservoir	MES-NaOH	100 (mM)
7	1	reservoir		200 (mM)