10RB

Human SARM1 TIR domain bound to compound 14

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-09-07
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.873129
Spacegroup name	P 2 21 21
Unit cell lengths	33.158, 85.766, 115.625
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.940 - 2.050
Rwork	0.209
R-free	0.25410
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.None-5190)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.940	2.170
High resolution limit [Å]	2.050	2.050
Number of reflections	21529	3386
<I/σ(I)>	4.9	1.1
Completeness [%]	99.7
Redundancy	7.3
CC(1/2)	0.987	0.708

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.4	293	0.1 M Bis-Tris-Propane, pH 6.4, 0.2 M K-thiocyanate, 8% PEG 3350