1TDI

Crystal Structure of hGSTA3-3 in Complex with Glutathione

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-12-12
Detector	MAC Science DIP-2020
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	92.985, 95.588, 114.039
Unit cell angles	90.00, 90.14, 90.00

Refinement procedure

Resolution	29.750 - 2.400
R-factor	0.228
Rwork	0.228
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1guh
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.114	0.355
Number of reflections	74040
<I/σ(I)>	9.12	2.94
Completeness [%]	94.7	9.9
Redundancy	2.38	2.28

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	288	PEG 6000, Na-HEPES, pH 8.0, VAPOR DIFFUSION, temperature 288K