3MAK

Crystal structure of Glutathione transferase dmGSTD1 from Drosophila melanogaster, in complex with 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	2008-11-27
Detector	ADSC QUANTUM 315
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	71.352, 63.137, 54.240
Unit cell angles	90.00, 129.55, 90.00

Refinement procedure

Resolution	18.260 - 1.800
R-factor	0.162
Rwork	0.160
R-free	0.20000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3f6f
RMSD bond length	0.011
RMSD bond angle	1.213
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.5.0072)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	1.860
High resolution limit [Å]	1.800	3.870	1.800
Rmerge	0.029	0.026	0.040
Number of reflections	16992
<I/σ(I)>	47.9
Completeness [%]	97.6	88	94.4
Redundancy	3.5	3.2	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	0.1M Tris pH 8.5, 25% (w/v) PEG 4000, 0.2M Lithium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 298K