7S2Z

Crystal structure of the E100A mutant TIR domain from the grapevine disease resistance protein RUN1 bound to NAD

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	2018-07-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 2 21 21
Unit cell lengths	79.743, 116.644, 122.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.080 - 2.350
R-factor	0.2196
Rwork	0.218
R-free	0.25470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6o0w
RMSD bond length	0.003
RMSD bond angle	0.563
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]	47.080	2.430
High resolution limit [Å]	2.350	2.350
Rmerge	0.103	0.753
Rmeas		0.810
Number of reflections	48034	4263
<I/σ(I)>	13.1	2.5
Completeness [%]	99.8	98.3
Redundancy	7.3	7.3
CC(1/2)	0.999	0.902

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.75	293	2 M ammonium sulfate 0.1 M TrisBase pH 8.75