7RTS

Crystal structure of the TIR domain from the grapevine disease resistance protein RUN1 without the AE interface

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 41 21 2
Unit cell lengths	50.370, 50.370, 120.313
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.460 - 1.740
R-factor	0.1991
Rwork	0.198
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6o0w
RMSD bond length	0.006
RMSD bond angle	0.745
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.460	1.801
High resolution limit [Å]	1.739	1.739
Rmerge	0.048	0.493
Rmeas	0.049	0.503
Number of reflections	16661	1600
<I/σ(I)>	41.33	6.04
Completeness [%]	99.8
Redundancy	25.8
CC(1/2)	1.000	0.978

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M sodium acetate pH 4.6, 1.8 M ammonium sulfate