7DB2

Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in GS-dimedone-bound form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-15
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	58.676, 75.887, 106.174
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.940 - 1.400
R-factor	0.1962
Rwork	0.195
R-free	0.21870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kem
RMSD bond length	0.006
RMSD bond angle	1.035
Data reduction software	XDS (Jun 17, 2015)
Data scaling software	Aimless (0.5.15)
Phasing software	MOLREP (11.7.02)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.944	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.045	0.045
Rmeas	0.047
Number of reflections	93907	9280
<I/σ(I)>	29.12
Completeness [%]	100.0	100
Redundancy	12.9	12.3
CC(1/2)	0.999	0.835

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	34% (v/v) PPG400 in 80mM Bis-Tris, pH 6.4