6HJS

Crystal structure of glutathione transferase Omega 1C 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	2018-05-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.98014
Spacegroup name	P 21 21 21
Unit cell lengths	62.685, 86.442, 92.099
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.221 - 1.612
R-factor	0.1877
Rwork	0.186
R-free	0.21160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6f43
RMSD bond length	0.007
RMSD bond angle	0.879
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]	46.050	1.640
High resolution limit [Å]	1.610	1.610
Rmerge	0.070	0.596
Rmeas	0.077	0.646
Rpim	0.030	0.247
Number of reflections	65189
<I/σ(I)>	15.4
Completeness [%]	99.9
Redundancy	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	10% (w/v) polyethylene glycol 8000 in 0.1 M pH 7.5 HEPES buffer