6KER

Crystal structure of D113A mutant of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in glutathione-bound form

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-01-29
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.10000
Spacegroup name	P 21 21 21
Unit cell lengths	58.371, 74.834, 107.423
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.030 - 1.840
R-factor	0.1908
Rwork	0.189
R-free	0.22080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kem
RMSD bond length	0.004
RMSD bond angle	0.660
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.10.1_2155,1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.340	1.904
High resolution limit [Å]	1.838	1.838
Rmerge	0.113	1.124
Rmeas	0.117	1.166
Rpim	0.032	0.309
Number of reflections	41679	4083
<I/σ(I)>	15.24	2.12
Completeness [%]	99.9	99.51
Redundancy	13.5	13.9
CC(1/2)	1.000	0.787

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	293	42.5%(v/v) PPG400, 100mM Bis-Tris, and pH 6.4