6O0W

Crystal structure of the TIR domain from the grapevine disease resistance protein RUN1 in complex with NADP+ and Bis-Tris

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	2017-10-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.954
Spacegroup name	C 1 2 1
Unit cell lengths	69.085, 79.399, 34.266
Unit cell angles	90.00, 107.42, 90.00

Refinement procedure

Resolution	39.700 - 1.750
R-factor	0.17
Rwork	0.167
R-free	0.19500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.773
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((DEV_3357: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.700	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.078	0.636
Rmeas	0.084	0.691
Rpim	0.032	0.267
Number of reflections	17742	899
<I/σ(I)>	10.4	1.4
Completeness [%]	99.6	93.3
Redundancy	6.9	6.3
CC(1/2)	0.997	0.869

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M NaCl, 0.1 M Bis-Tris pH 6.5, 25% w/v PEG 3350) and 10 mM NADP