8Q8A

Crystal structure of Apis mellifera glutathione transferase delta 1, mutant M126L

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	2022-04-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97951
Spacegroup name	P 43 21 2
Unit cell lengths	77.474, 77.474, 81.526
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.700 - 1.750
R-factor	0.2149
Rwork	0.213
R-free	0.24330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.903
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]	40.760	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.060	1.590
Rmeas	0.062	1.661
Rpim	0.017	0.476
Number of reflections	25703	1385
<I/σ(I)>	30.2	1.7
Completeness [%]	100.0
Redundancy	12.9
CC(1/2)	0.998	0.725

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	15% PEG4000, 0.1M tri-sodium citrate pH 5.6, 0.2M ammonium sulfate