6GC9

Crystal structure of glutathione transferase Xi 1 from Trametes versicolor

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	2015-03-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97973
Spacegroup name	P 43 21 2
Unit cell lengths	64.955, 64.955, 316.424
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.454 - 3.200
R-factor	0.2187
Rwork	0.217
R-free	0.24940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6gca
RMSD bond length	0.005
RMSD bond angle	0.746
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.454	3.420
High resolution limit [Å]	3.200	3.200
Rpim	0.070	0.210
Number of reflections	12131	2132
<I/σ(I)>	11
Completeness [%]	100.0
Redundancy	13.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	8.5	277	16% (w/v) polyethylene glycol 4,000, 0.1M pH 8.5 Tris-HCl buffer and 0.2M magnesium chloride