6F43

Crystal structure of apo form of Glutathione transferase Omega 3S 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	2015-02-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.980
Spacegroup name	P 21 21 21
Unit cell lengths	50.480, 104.520, 107.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.877 - 1.350
R-factor	0.1381
Rwork	0.137
R-free	0.16790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pqi
RMSD bond length	0.013
RMSD bond angle	1.242
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MrBUMP
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.880	1.390
High resolution limit [Å]	1.350	1.350
Number of reflections	125602
<I/σ(I)>	16.5
Completeness [%]	100.0
Redundancy	8.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	4.5	278	30 % PEG 400, 0.2 M Calcium Acetate, 0.1 M Acetate Buffer, pH 4.5