9MW3

Structure of SARM1 TIR domain bound to G2756

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-18
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.987
Spacegroup name	P 2 21 21
Unit cell lengths	32.928, 85.535, 115.912
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.120 - 1.930
R-factor	0.1777
Rwork	0.176
R-free	0.20020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.542
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.20rc3-4406-foss-2017a)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.980	1.980
High resolution limit [Å]	1.930	1.930
Rmerge	0.120	1.101
Rmeas	0.131	1.191
Rpim	0.051	0.449
Total number of observations	167719	11540
Number of reflections	25483	1672
<I/σ(I)>	14.1	2.3
Completeness [%]	99.9
Redundancy	6.6	6.9
CC(1/2)	0.998	0.796

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	100mM bis-tris propane pH 6.5-7.5, 0.2-0.6M potassium thiocyanate, and 12-20% PEG3350