22GA

Crystal structure of sorghum sulfotransferase LGS1 reveals sulfation-assisted BC-ring formation in strigolactone biosynthesis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	CCD
Collection date	2024-05-11
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	40.920, 96.500, 179.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.250 - 1.940
R-factor	0.2274
Rwork	0.226
R-free	0.26640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.556
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.21.1_5286: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.250	2.060
High resolution limit [Å]	1.940	1.940
Number of reflections	53943	8746
<I/σ(I)>	11.84
Completeness [%]	100.0
Redundancy	10.73
CC(1/2)	0.999	0.669

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	PEG