1GTU

LIGAND-FREE HUMAN GLUTATHIONE S-TRANSFERASE M1A-1A

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	290
Detector technology	AREA DETECTOR
Collection date	1997-04
Detector	SIEMENS-NICOLET X100
Spacegroup name	P 21 21 21
Unit cell lengths	56.957, 84.987, 215.382
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.680
R-factor	0.211
Rwork	0.211
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gtu
RMSD bond length	0.012
RMSD bond angle	22.020 *
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	12.350	2.900
High resolution limit [Å]	2.680	2.680
Rmerge	0.058	0.155
Number of reflections	26217
Completeness [%]	98.0	87.1
Redundancy	2	1.75

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5 *	289 *	pH 6.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	16-20 (mg/ml)
2	1	drop	Tris-HCl	10 (mM)
3	1	drop	dithiothreitol	0.2 (mM)
4	1	reservoir	PEG4000	16-22 (%)
5	1	reservoir		50 (mM)
6	1	reservoir	Tris-HCl	25 (mM)