7NAI

Crystal structure of the TIR domain from human SARM1 in complex with 3AD

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	2020-10-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 2
Unit cell lengths	86.192, 116.779, 33.016
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.100 - 1.740
R-factor	0.1675
Rwork	0.166
R-free	0.19700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6o0r
RMSD bond length	0.009
RMSD bond angle	1.000
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.340	1.770
High resolution limit [Å]	1.740	1.740
Rmerge	0.058	0.417
Rmeas	0.063	0.453
Rpim	0.024	0.173
Number of reflections	35061	1814
<I/σ(I)>	14.4	3
Completeness [%]	99.8
Redundancy	6.7
CC(1/2)	0.999	0.952

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Bis-Tris propane pH 7.0, 0.2 M potassium thiocyanate, and 10% PEG3350