2AB6

HUMAN GLUTATHIONE S-TRANSFERASE M2-2 (E.C.2.5.1.18) complexed with S-METHYLGLUTATHIONE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	90
Detector technology	IMAGE PLATE
Collection date	2004-10-20
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	56.120, 76.716, 212.449
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.500
R-factor	0.23029
Rwork	0.229
R-free	0.27961
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gtu
RMSD bond length	0.011
RMSD bond angle	1.226
Data scaling software	SCALEPACK
Phasing software	CCP4
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.660
High resolution limit [Å]	2.500	2.500
Rmerge	0.134	0.330
Number of reflections	28327
<I/σ(I)>	3	1.6
Completeness [%]	86.5	73.1
Redundancy	11.7	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	290	20% PEG 4000, pH 6.50, VAPOR DIFFUSION, SITTING DROP, temperature 290K