7DB1

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-14
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	58.228, 75.178, 106.646
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.340 - 1.830
R-factor	0.1757
Rwork	0.174
R-free	0.21090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kem
RMSD bond length	0.007
RMSD bond angle	1.013
Data reduction software	XDS (Jun 17, 2015)
Data scaling software	Aimless (0.5.15)
Phasing software	MOLREP (11.7.02)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.340	1.895
High resolution limit [Å]	1.830	1.830
Rmerge	0.067	0.743
Rmeas	0.075	0.825
Rpim	0.032	0.350
Number of reflections	39580	4017
<I/σ(I)>	19.79	2.22
Completeness [%]	94.1	97.24
Redundancy	5.2	5.2
CC(1/2)	0.999	0.685

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