3GTU

LIGAND-FREE HETERODIMERIC HUMAN GLUTATHIONE S-TRANSFERASE M2-3 (EC 2.5.1.18), MONOCLINIC CRYSTAL FORM

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	289
Detector technology	AREA DETECTOR
Collection date	1997-07
Detector	SIEMENS-NICOLET X100
Spacegroup name	P 1 21 1
Unit cell lengths	51.970, 102.747, 103.977
Unit cell angles	90.00, 95.80, 90.00

Refinement procedure

Resolution	8.000 - 2.800
R-factor	0.225
Rwork	0.225
R-free	0.27000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gtu
RMSD bond length	0.014
RMSD bond angle	21.110 *
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]	10.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.113	0.341
Number of reflections	25387
<I/σ(I)>	3.5
Completeness [%]	94.4	69.4
Redundancy	2.4	1.71

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.5		pH 7.5