6KEQ

Crystal structure of D113A mutant of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in apo-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	58.717, 75.476, 107.114
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.340 - 1.840
R-factor	0.2097
Rwork	0.208
R-free	0.24050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kem
RMSD bond length	0.005
RMSD bond angle	0.722
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.340	1.904
High resolution limit [Å]	1.838	1.838
Rmerge	0.072	1.100
Rmeas	0.075	1.141
Rpim	0.020	0.306
Number of reflections	42116	4095
<I/σ(I)>	21.31	2.07
Completeness [%]	99.8	98.72
Redundancy	13.3	13.8
CC(1/2)	1.000	0.837

Crystallization Conditions

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