1GUL

HUMAN GLUTATHIONE TRANSFERASE A4-4 COMPLEX WITH IODOBENZYL GLUTATHIONE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	77
Detector technology	IMAGE PLATE
Collection date	1997-04-17
Detector	MARRESEARCH
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 - 2.700
R-factor	0.25
Rwork	0.248
R-free	0.26000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gse
RMSD bond length	0.019
RMSD bond angle	2.770
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 *	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.110 *
Number of reflections	58800 *
<I/σ(I)>	12.9	3.5
Completeness [%]	86.0	99.8
Redundancy	8.7	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7		CRYSTALLIZATION CONDITIONS: PROTEIN WAS CRYSTALLIZED FROM 20% PEG 4000, 100 MM PH 7.0, THEN SOAKED IN 1MM IODOBENZYL GLUTATHIONE

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)