8C5D

Glutathione transferase P1-1 from Mus musculus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	56.617, 77.366, 101.444
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.680 - 1.280
R-factor	0.1756
Rwork	0.175
R-free	0.19990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.924
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.620	1.300
High resolution limit [Å]	1.280	1.280
Rmeas	0.059	2.485
Number of reflections	114851	5532
<I/σ(I)>	12.7
Completeness [%]	99.7	98.3
Redundancy	6.7	6.3
CC(1/2)	0.990	0.350

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	289	PEG 6000 20% (w/v), 0.2 M calcium chloride dihydrate, pH 8.0