1K3L

Crystal Structure Analysis of S-hexyl-glutathione Complex of Glutathione Transferase at 1.5 Angstroms Resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-11-15
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	99.960, 93.994, 51.872
Unit cell angles	90.00, 92.63, 90.00

Refinement procedure

Resolution	10.000 - 1.500
R-factor	0.1654
Rwork	0.158
R-free	0.21900 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1GSE [LIGANDS AND WATER REMOVED]
RMSD bond length	0.009
RMSD bond angle	0.029
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.048	0.440 *
Number of reflections	75496	7153 *
Completeness [%]	99.3	94.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294	18% PEG3350, 0.1 M Tris-Cl pH 7.5, 10mM DTT, VAPOR DIFFUSION, SITTING DROP, temperature 294K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	PEG3350	18 (%)
3	1	reservoir	Tris-Cl	0.1 (M)	pH7.5
4	1	reservoir	dithiothreitol	10 (mM)