5LKB

Crystal structure of the Xi glutathione transferase ECM4 from Saccharomyces cerevisiae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979767
Spacegroup name	P 1 21 1
Unit cell lengths	55.510, 82.960, 80.650
Unit cell angles	90.00, 95.13, 90.00

Refinement procedure

Resolution	33.972 - 1.450
R-factor	0.1684
Rwork	0.167
R-free	0.19390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ppu
RMSD bond length	0.015
RMSD bond angle	1.353
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.010	1.490
High resolution limit [Å]	1.450	1.450
Rmerge	0.035
Number of reflections	124109
<I/σ(I)>	19.7	1.9
Completeness [%]	96.4	77
Redundancy	3.6	2.7
CC(1/2)	0.990	0.770

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		277	20% (w/v) PEG 2000 MME, 0.1 M Tris pH 7.0