8D0C

Human SARM1 TIR domain bound to NB-3-ADPR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	93
Detector technology	PIXEL
Collection date	2020-05-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.11584
Spacegroup name	P 21 21 2
Unit cell lengths	87.086, 117.230, 32.865
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.910 - 2.090
R-factor	0.1804
Rwork	0.176
R-free	0.22280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8d0j
RMSD bond length	0.007
RMSD bond angle	0.911
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]	117.230	2.150
High resolution limit [Å]	2.090	2.090
Rmerge	0.165	1.054
Rmeas	0.180	1.165
Rpim	0.072	0.489
Number of reflections	20696	2029
<I/σ(I)>	9.3	2.1
Completeness [%]	99.7	99.5
Redundancy	11.3	10.3
CC(1/2)	0.997	0.741

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