8D00

Structure of the Arabidopsis thaliana SPIRAL2 TOG domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00000
Spacegroup name	I 2 2 2
Unit cell lengths	72.843, 78.456, 131.938
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.360 - 2.800
R-factor	0.2184
Rwork	0.214
R-free	0.25900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold prediction
RMSD bond length	0.003
RMSD bond angle	0.535
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.800	2.800
Number of reflections	9490	944
<I/σ(I)>	19.7	2.6
Completeness [%]	98.7
Redundancy	11.5
CC(1/2)	0.993	0.872

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	2 ul 15.7 mg/mL SPIRAL2 TOG domain (residues 33-333) protein + 2 ul of a 1 ml well solution (27.5% w/v PEG3350, 150 mM ammonium phosphate, 280 mM sodium iodide)