7DAY

Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in TDP013-, and GSH-bound form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-18
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.980000
Spacegroup name	P 21 21 21
Unit cell lengths	58.700, 75.100, 108.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.550 - 1.480
R-factor	0.1833
Rwork	0.182
R-free	0.20450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kem
RMSD bond length	0.007
RMSD bond angle	0.928
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]	37.550	1.533
High resolution limit [Å]	1.480	1.480
Rmerge	0.117	0.981
Rmeas	0.119	1.007
Rpim	0.019	0.218
Number of reflections	80334	7800
<I/σ(I)>	27.07	3.98
Completeness [%]	99.7	97.83
Redundancy	35.7	20.1
CC(1/2)	1.000	0.841

Crystallization Conditions

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