5ZFG

Crystal structure of a diazinon-metabolizing glutathione S-transferase in the silkworm, Bombyx mori

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2017-05-18
Detector	AGILENT TITAN CCD
Wavelength(s)	0.9
Spacegroup name	P 41
Unit cell lengths	86.249, 86.249, 58.772
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.300 - 1.700
R-factor	0.1883
Rwork	0.186
R-free	0.22100
RMSD bond length	0.007
RMSD bond angle	0.832
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.300	1.700
High resolution limit [Å]	1.700	1.700
Rmerge	0.049	1.000
Number of reflections	48961
<I/σ(I)>	25.2
Completeness [%]	99.3
Redundancy	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	0.1 M Tris-HCl pH 8.0 containing 0.6 M sodium acetate, 25% PEG 4000