3F63

Crystal structure of a Delta class GST (adGSTD4-4) from Anopheles dirus, in complex with S-hexyl glutathione

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-12-21
Detector	ADSC QUANTUM 315
Wavelength(s)	1
Spacegroup name	P 32 2 1
Unit cell lengths	49.552, 49.552, 274.393
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.940 - 1.800
R-factor	0.18141
Rwork	0.179
R-free	0.21995
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jlw
RMSD bond length	0.010
RMSD bond angle	1.133
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.860
High resolution limit [Å]	1.800	1.800
Number of reflections	36977
Completeness [%]	97.7	86.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	298	30% (w/v) PEG 4000, 0.1M Sodium Cacodylate pH 6.6, 0.15M Sodium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K