7RX1

Crystal structure of the TIR domain from the grapevine disease resistance protein RUN1

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	2019-06-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	C 1 2 1
Unit cell lengths	152.435, 41.471, 77.232
Unit cell angles	90.00, 118.51, 90.00

Refinement procedure

Resolution	33.930 - 1.890
R-factor	0.202
Rwork	0.201
R-free	0.22630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6o0w
RMSD bond length	0.008
RMSD bond angle	0.807
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]	33.930	1.959
High resolution limit [Å]	1.890	1.892
Rmerge	0.062	1.262
Rmeas	0.074	0.074
Rpim	0.040	0.801
Number of reflections	34128	3294
<I/σ(I)>	12.06	0.94
Completeness [%]	99.5	97.6
Redundancy	3.4	3.4
CC(1/2)	0.997	0.358

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	0.2 M Lithium Sulfate, 0.1 M HEPES pH 7, 20% PEG3350