7DB0

Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in dimedone-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	57.253, 74.747, 109.952
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.390 - 1.660
R-factor	0.1736
Rwork	0.172
R-free	0.20100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kem
RMSD bond length	0.005
RMSD bond angle	0.717
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]	35.390	1.719
High resolution limit [Å]	1.660	1.660
Rmerge	0.114	0.732
Rmeas	0.128	0.820
Rpim	0.057	0.366
Number of reflections	56430	5570
<I/σ(I)>	11.6	2.2
Completeness [%]	99.9	99.95
Redundancy	4.9	4.9
CC(1/2)	0.997	0.721

Crystallization Conditions

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