8D0E

Human SARM1 TIR domain bound to NB-7

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	2020-10-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97741
Spacegroup name	P 2 21 21
Unit cell lengths	32.927, 87.232, 116.634
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.480 - 1.880
R-factor	0.1862
Rwork	0.183
R-free	0.22780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8d0j
RMSD bond length	0.006
RMSD bond angle	0.848
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]	48.480	1.920
High resolution limit [Å]	1.880	1.880
Rmerge	0.132	1.197
Rmeas	0.143	1.298
Rpim	0.041	0.359
Number of reflections	28243	2807
<I/σ(I)>	12.2	2.2
Completeness [%]	100.0	100
Redundancy	12.6	12.8
CC(1/2)	0.999	0.809

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