6KEP

Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in 17beta-estradiol- and 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-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	58.380, 75.057, 108.517
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.590 - 1.550
R-factor	0.1619
Rwork	0.161
R-free	0.18180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kem
RMSD bond length	0.010
RMSD bond angle	1.084
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]	35.700	1.605
High resolution limit [Å]	1.550	1.550
Rmerge	0.033	0.300
Rmeas	0.036	0.370
Rpim	0.014	0.220
Number of reflections	65907	4315
<I/σ(I)>	34.87	2.8
Completeness [%]	94.3	62.58
Redundancy	6.2	2.4
CC(1/2)		0.846

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