8D0D

Human SARM1 TIR domain bound to an NB-7-ADPR adduct

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	2020-07-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97741
Spacegroup name	P 2 21 21
Unit cell lengths	33.138, 86.634, 117.065
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.500 - 1.960
R-factor	0.1859
Rwork	0.182
R-free	0.23290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8d0j
RMSD bond length	0.007
RMSD bond angle	0.828
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]	48.500	2.010
High resolution limit [Å]	1.960	1.960
Rmerge	0.137	1.411
Rmeas	0.148	1.534
Rpim	0.056	0.597
Number of reflections	25069	2450
<I/σ(I)>	14	2
Completeness [%]	100.0
Redundancy	12.8
CC(1/2)	0.999	0.759

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