8K9Y

Crystal structure of Arabidopsis thaliana sulfotransferase SOT16 involved in glucosinolate biosynthesis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-02-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000000
Spacegroup name	P 1 21 1
Unit cell lengths	52.430, 138.240, 63.130
Unit cell angles	90.00, 104.88, 90.00

Refinement procedure

Resolution	47.580 - 1.820
R-factor	0.1646
Rwork	0.163
R-free	0.20440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.470
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.580	1.950
High resolution limit [Å]	1.820	1.820
Number of reflections	73012	7301
<I/σ(I)>	8.28
Completeness [%]	95.0
Redundancy	3.32
CC(1/2)	0.990	0.746

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.4	PEG