9HQ0

SARM1 TIR domain in complex with compound 7-ADPR

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-07
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.00005
Spacegroup name	P 2 21 21
Unit cell lengths	33.235, 86.102, 116.649
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.290 - 2.130
R-factor	0.1821
Rwork	0.179
R-free	0.24110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.991
Data reduction software	XDS
Data scaling software	SADABS
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.270	2.230
High resolution limit [Å]	2.130	2.130
Rmerge	0.150	0.800
Number of reflections	19561	2459
<I/σ(I)>	7.34
Completeness [%]	99.9
Redundancy	7.37
CC(1/2)	0.995	0.448

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	of 0.1 M Bis-Tris propane pH 6.5, 14-18% (w/v) PEG 3350 and 0.30-0.45 M potassium thiocyanate