10RA

Human SARM1 TIR domain bound to compound 6

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-22
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9801
Spacegroup name	P 21 21 2
Unit cell lengths	86.320, 116.820, 33.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.420 - 1.790
Rwork	0.202
R-free	0.23870
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	autoPROC
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.20.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.420	1.970
High resolution limit [Å]	1.790	1.790
Number of reflections	22318	1116
<I/σ(I)>	8.4
Completeness [%]	68.7
Completeness (ellipsoidal) [%]	90.8
Redundancy	6.6
CC(1/2)	0.996	0.454

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1 M Bis-Tris propane pH 7.5, 0.2 M potassium thiocyanate, 12% (w/v) PEG3350