7DAX

Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in TDP013-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	CCD
Collection date	2015-12-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	58.696, 75.069, 108.253
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.622 - 1.700
R-factor	0.169107160218
Rwork	0.168
R-free	0.19907
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kem
RMSD bond length	0.007
RMSD bond angle	1.280
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]	31.622	1.761
High resolution limit [Å]	1.700	1.700
Rmerge	0.034	0.183
Rmeas	0.365
Number of reflections	53049	5007
<I/σ(I)>	36.69	7.94
Completeness [%]	99.5	95.77
Redundancy	6.9	4.9
CC(1/2)	1.000	0.973

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	293	34% (v/v) PPG 400, 80mM Bis-Tris, pH 6.4