9UC4

Crystal structure of voltage-gated sodium channel NavAb N49K/S178T/T206A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	I 4 2 2
Unit cell lengths	128.710, 128.710, 201.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.510 - 3.400
R-factor	0.2807
Rwork	0.279
R-free	0.31170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.803
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.510	3.522
High resolution limit [Å]	3.400	3.400
Rpim	0.142	1.534
Number of reflections	12030	527
<I/σ(I)>	10.66	1.41
Completeness [%]	92.1
Redundancy	25.1
CC(1/2)	0.996	0.743

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	9%-11% PEG MME 2000, 100mM sodium chloride, 100mM magnesium nitrate, 25mM cadmium nitrate, 100mM Tris-HCl, pH 8.4