8QLL

Crystal structure of rat glutathione transferase Omega 1 bound to glutathione

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM07
Synchrotron site	ESRF
Beamline	BM07
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97951
Spacegroup name	I 4
Unit cell lengths	133.164, 133.164, 88.514
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.080 - 2.400
R-factor	0.2544
Rwork	0.252
R-free	0.29580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.978
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.410	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.103	0.656
Rmeas	0.111	0.711
Rpim	0.043	0.272
Number of reflections	30224	3048
<I/σ(I)>	8.1	1
Completeness [%]	99.5
Redundancy	6.9
CC(1/2)	0.996	0.896

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	2 M ammonium sulfate, 100 mM Na acetate pH 4.6, 10 mM glutathione