6F70

Crystal structure of glutathione transferase Omega 6S from Trametes versicolor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-05
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9762
Spacegroup name	P 1 21 1
Unit cell lengths	53.060, 78.500, 67.860
Unit cell angles	90.00, 106.56, 90.00

Refinement procedure

Resolution	42.684 - 1.480
R-factor	0.1577
Rwork	0.157
R-free	0.17950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6f43
RMSD bond length	0.012
RMSD bond angle	1.205
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]	42.690	1.520
High resolution limit [Å]	1.480	1.480
Rmerge	0.039
Number of reflections	85232
<I/σ(I)>	14.5
Completeness [%]	96.0
Redundancy	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		278	25 % PEG 1500, 0.1 M MMT pH 6.5 buffer (containing DL-malic acid, MES and Tris base in the molar ratios 1:2:2, respectively)