6SSR

Crystal structure of Human Microsomal Glutathione S-Transferase 2 at 3.8 Angstroms resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-03-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	109.942, 151.149, 70.251
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.450 - 3.800
R-factor	0.3067
Rwork	0.305
R-free	0.33682
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2uui
RMSD bond length	0.009
RMSD bond angle	1.199
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.450	3.930
High resolution limit [Å]	3.800	3.800
Rmerge	0.423	2.247
Number of reflections	6009	6009
<I/σ(I)>	4.64	1.15
Completeness [%]	99.4	99.66
Redundancy	12.2	12.4
CC(1/2)	0.987	0.663

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	5.5	298	0.1M MES 0.4M Lithium citrate 40% PEG 400