7DAZ

Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in TDP015- and GSH-bound form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2018-08-16
Detector	RAYONIX MX300-HS
Wavelength(s)	0.98000
Spacegroup name	P 21 21 21
Unit cell lengths	58.333, 75.959, 111.147
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.940 - 1.640
R-factor	0.1934
Rwork	0.192
R-free	0.22180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kem
RMSD bond length	0.005
RMSD bond angle	1.217
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]	35.940	1.699
High resolution limit [Å]	1.640	1.640
Rmerge	0.055	1.221
Rmeas	0.057	1.265
Number of reflections	61231	6042
<I/σ(I)>	23.98	2.14
Completeness [%]	1.0	1
Redundancy	14.4	14.7
CC(1/2)	1.000	0.861

Crystallization Conditions

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