9MW1

Structure of SARM1 TIR domain bound to G8758

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 2.0.1
Synchrotron site	ALS
Beamline	2.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.987
Spacegroup name	P 2 21 21
Unit cell lengths	33.222, 85.831, 116.436
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.360 - 2.100
R-factor	0.2559
Rwork	0.251
R-free	0.29700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.237
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.20rc3-4406_final: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.180	2.160
High resolution limit [Å]	2.100	2.100
Rmerge		0.976
Rmeas	0.325	1.063
Rpim	0.133	0.415
Total number of observations		10261
Number of reflections	20112	1613
<I/σ(I)>	6.7	2.2
Completeness [%]	99.4
Redundancy	6.1	6.4
CC(1/2)	0.969	0.707

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