6O0Q

Crystal structure of the TIR domain from human SARM1 in complex with ribose

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	2018-09-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 2 21 21
Unit cell lengths	32.986, 86.019, 116.684
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.280 - 1.800
R-factor	0.174
Rwork	0.172
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.009
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]	48.330	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.081	0.794
Rmeas	0.088	0.843
Rpim	0.031	0.299
Number of reflections	31114	1803
<I/σ(I)>	13.1
Completeness [%]	98.0	95.2
Redundancy	7.6	13.1
CC(1/2)	0.999	0.884

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Bis Tris propane pH 6.5, 0.2 M potassium thiocyanate, 11% PEG3350