7RHP

Crystal Structure of Honeybee (Apis mellifera) glutathione S-transferase AmGSTD1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97918
Spacegroup name	P 65 2 2
Unit cell lengths	60.090, 60.090, 232.050
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	52.040 - 1.540
R-factor	0.1907
Rwork	0.190
R-free	0.20260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wyw
RMSD bond length	0.006
RMSD bond angle	0.879
Data reduction software	DIALS
Data scaling software	xia2
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.18.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.040	1.595
High resolution limit [Å]	1.540	1.540
Rmerge	0.078	0.973
Rmeas	0.080
Rpim	0.019	0.285
Number of reflections	37014	2976
<I/σ(I)>	14.34	0.34
Completeness [%]	95.0	73.91
Redundancy	16.9	11.7
CC(1/2)	1.000	0.772

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		291	0.2 M Sodium chloride, 20% w/v Polyethylene glycol 3350