8D0H

Human SARM1 TIR domain bound to NB-3-GDPR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	93
Detector technology	PIXEL
Collection date	2021-02-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	33.048, 77.707, 116.227
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.540 - 2.370
R-factor	0.2015
Rwork	0.193
R-free	0.28050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8d0j
RMSD bond length	0.010
RMSD bond angle	0.996
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.440
High resolution limit [Å]	2.370	2.370
Rmerge	0.365	1.880
Rmeas	0.381	1.979
Rpim	0.108	0.605
Number of reflections	11584	708
<I/σ(I)>	7.5	1.6
Completeness [%]	96.7	98.5
Redundancy	11.9	10.4
CC(1/2)	0.969	0.611

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