7NAG

Crystal structure of the TIR domain from human SARM1 in complex with 1AD

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	2021-05-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9464
Spacegroup name	P 21 21 2
Unit cell lengths	86.405, 116.401, 32.943
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.270 - 1.720
R-factor	0.1524
Rwork	0.151
R-free	0.17520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6o0r
RMSD bond length	0.009
RMSD bond angle	1.195
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]	48.270	1.750
High resolution limit [Å]	1.720	1.720
Rmerge	0.062	0.311
Rmeas	0.067	0.337
Rpim	0.026	0.128
Number of reflections	36259	1830
<I/σ(I)>	15.5	4.3
Completeness [%]	99.8
Redundancy	6.7
CC(1/2)	0.999	0.957

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