8D0F

Human SARM1 TIR domain bound to NB-2-ADPR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	93
Detector technology	PIXEL
Collection date	2021-05-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97741
Spacegroup name	P 2 21 21
Unit cell lengths	32.940, 86.363, 115.757
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.080 - 1.740
R-factor	0.215
Rwork	0.213
R-free	0.25310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8d0j
RMSD bond length	0.006
RMSD bond angle	0.927
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.080	1.770
High resolution limit [Å]	1.740	1.740
Rmerge	0.135	1.364
Rmeas	0.147	1.482
Rpim	0.040	0.415
Number of reflections	34455	3371
<I/σ(I)>	13	13
Completeness [%]	99.0
Redundancy	13
CC(1/2)	0.999	0.776

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	100 mM Bis-Tris propane pH 6.5, 200 mM potassium thiocyanate, and 15% polyethylene glycol 3350