9F7K

Glutathione transferase epsilon 1 from Drosophila melanogaster in complex with glutathione

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-06
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.14071
Spacegroup name	P 21 21 21
Unit cell lengths	81.038, 82.919, 95.543
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.459 - 1.800
Rwork	0.154
R-free	0.17660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.662
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	BALBES
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.460	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.054	0.812
Number of reflections	60131	3542
<I/σ(I)>	17.5	2.3
Completeness [%]	99.2	99.7
Redundancy	6.6
CC(1/2)	1.000	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	20 % w/v PEG 8000, 100 mM MES pH 6.0 and 200 mM Ca acetate