3LJR

GLUTATHIONE TRANSFERASE (THETA CLASS) FROM HUMAN IN COMPLEX WITH THE GLUTATHIONE CONJUGATE OF 1-MENAPHTHYL SULFATE

Experimental procedure

Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-07
Detector	MARRESEARCH
Spacegroup name	P 31 2 1
Unit cell lengths	94.065, 94.065, 120.800
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.000 - 3.300
R-factor	0.238
Rwork	0.238
R-free	0.33500
RMSD bond length	0.009
RMSD bond angle	25.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.8)
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	3.400
High resolution limit [Å]	3.300	3.300
Rmerge	0.142 *
Total number of observations	16845 *
Number of reflections	8401
<I/σ(I)>	6.3	2.2
Completeness [%]	88.8	91.6
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7 *	277 or 295 *	drop solution was mixed with an equal volume of reservoir solution *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	1.76 (mg/ml)
2	1	drop	sodium phosphate	10 (mM)
3	1	drop	beta-mercaptoethanol	1 (mM)
4	1	reservoir	PEG4000	15 (%)
5	1	reservoir	ethanol	2 (%)
6	1	reservoir	HEPES	100 (mM)