9M0L

Crystal structure of Arabidopsis thaliana sulfotransferase SOT18 complexed with glucoraphanin precursor involved in glucosinolate biosynthesis

This is a non-PDB format compatible entry.

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	2022-10-10
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	130.550, 63.900, 53.110
Unit cell angles	90.00, 103.56, 90.00

Refinement procedure

Resolution	40.470 - 1.390
R-factor	0.1354
Rwork	0.135
R-free	0.15960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mek
RMSD bond length	0.022
RMSD bond angle	1.741
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.460	1.470
High resolution limit [Å]	1.390	1.390
Number of reflections	81183	10224
<I/σ(I)>	7.45
Completeness [%]	95.1
Redundancy	5.8
CC(1/2)	0.994	0.831

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294.8	PEG