1GUM

HUMAN GLUTATHIONE TRANSFERASE A4-4 WITHOUT LIGANDS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	77
Detector technology	CCD
Collection date	1997-02-24
Detector	ADSC
Spacegroup name	P 21 21 2
Unit cell lengths	155.300, 156.100, 101.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	160.000 - 3.000
R-factor	0.255
Rwork	0.253
R-free	0.27000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gse
RMSD bond length	0.018
RMSD bond angle	2.660
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	TNT (5E)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	9999.000 *	3.100
High resolution limit [Å]	2.900	3.000
Rmerge	0.118 *
Number of reflections	51109 *
<I/σ(I)>	9.2	4.3
Completeness [%]	92.0 *	97.1
Redundancy	6.4	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7		PROTEIN WAS CRYSTALLIZED FROM 20% PEG 4000, 100 MM PH 7.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG6000	10 (%(w/v))
2	1	reservoir	HEPES	100 (mM)