3F6D

Crystal Structure of a Genetically Modified Delta Class GST (adGSTD4-4) from Anopheles dirus, F123A, 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	49.692, 49.692, 272.943
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.900 - 1.700
R-factor	0.1745
Rwork	0.173
R-free	0.20242
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3f63
RMSD bond length	0.009
RMSD bond angle	1.161
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	1.760
High resolution limit [Å]	1.700	1.700
Number of reflections	43657
Completeness [%]	97.6	88.1

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