8D0I

Human SARM1 bound to an NB-3 eADPR adduct

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	2021-01-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	33.273, 78.797, 116.975
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.400 - 2.000
R-factor	0.1777
Rwork	0.173
R-free	0.21620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8d0j
RMSD bond length	0.007
RMSD bond angle	0.776
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]	39.400	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.524	0.887
Rmeas	0.565	0.957
Rpim	0.209	0.357
Number of reflections	20965	2066
<I/σ(I)>	4.2	2.2
Completeness [%]	97.5	98.2
Redundancy	13.3	13.4
CC(1/2)	0.927	0.826

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