8Q8B

Crystal structure of Apis mellifera glutathione transferase delta 1, mutant C127S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM07
Synchrotron site	ESRF
Beamline	BM07
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97951
Spacegroup name	P 43 21 2
Unit cell lengths	77.398, 77.398, 82.137
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.280 - 1.500
R-factor	0.211
Rwork	0.209
R-free	0.24020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.843
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.540	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.065	1.572
Rmeas	0.068	1.632
Rpim	0.019	0.435
Number of reflections	40123	1923
<I/σ(I)>	21.4	2.1
Completeness [%]	99.1
Redundancy	13.2
CC(1/2)	0.997	0.859

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	22% PEG4000, 0.1M sodium acetate, 0.2M ammonium sulfate