8D0G

Human SARM1 TIR domain bound to NB-3-ADPRP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	93
Detector technology	PIXEL
Collection date	2021-01-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 2
Unit cell lengths	86.953, 117.429, 33.271
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.690 - 1.990
R-factor	0.1927
Rwork	0.189
R-free	0.23780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8d0j
RMSD bond length	0.007
RMSD bond angle	0.849
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]	39.140	2.040
High resolution limit [Å]	1.990	1.990
Rmerge	0.252	2.039
Rmeas	0.272	2.220
Rpim	0.103	0.869
Number of reflections	24195	2388
<I/σ(I)>	10.4	2.9
Completeness [%]	99.6	97.9
Redundancy	12.9	12.1
CC(1/2)	0.995	0.841

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