9MW2

Structure of SARM1 TIR domain bound to G6831

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-08-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.987
Spacegroup name	P 2 21 21
Unit cell lengths	33.115, 85.818, 116.957
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.490 - 1.750
R-factor	0.1916
Rwork	0.190
R-free	0.22180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.103
Data reduction software	autoPROC
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.20rc3-4406-foss-2017a)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.490	1.790
High resolution limit [Å]	1.750	1.750
Rmeas	0.339	0.110
Rpim	0.139	0.090
Number of reflections	80989	447
<I/σ(I)>	4.8
Completeness [%]	76.1
Redundancy	6.1

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