6SSS

Crystal structure of Human Microsomal Glutathione S-Transferase 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-07
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.8729
Spacegroup name	P 1
Unit cell lengths	54.886, 72.162, 72.692
Unit cell angles	67.93, 86.71, 86.86

Refinement procedure

Resolution	43.329 - 2.498
R-factor	0.2209
Rwork	0.218
R-free	0.26700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ssr
RMSD bond length	0.005
RMSD bond angle	0.880
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1683)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.329	2.580
High resolution limit [Å]	2.490	2.490
Number of reflections	35150	35150
<I/σ(I)>	5.31	0.99
Completeness [%]	98.3
Redundancy	3.5
CC(1/2)	0.989	0.433

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	4.5	298	0.1M Sodium acetate pH 4.5 0.4M Sodium sulfate 0.1M Potassium thiocyanate 17% PEG 400