7EBW

Crystal structure of Aedes aegypti Noppera-bo, glutathione S-transferase epsilon 8, in desmethylglycitein and glutathione-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]	95
Detector technology	PIXEL
Collection date	2020-06-18
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0000
Spacegroup name	I 41 2 2
Unit cell lengths	151.314, 151.314, 146.147
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.850 - 1.940
R-factor	0.1746
Rwork	0.172
R-free	0.21870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kem
RMSD bond length	0.008
RMSD bond angle	0.966
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.850	1.990
High resolution limit [Å]	1.940	1.940
Rpim	0.028	0.372
Number of reflections	61340	4018
<I/σ(I)>	23.2
Completeness [%]	98.3
Redundancy	26.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	32.5% PEG 4000, 0.5M CaCl2, 0.1 M Tris-HCl pH 7.5