24JU

Crystal structure of voltage-gated sodium channel NavAb N49K 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	2024-11-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	I 4 2 2
Unit cell lengths	127.980, 127.980, 205.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.250 - 3.700
R-factor	0.2812
Rwork	0.279
R-free	0.32020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.516
Data reduction software	XDS
Data scaling software	DIALS
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.250	3.832
High resolution limit [Å]	3.700	3.700
Rpim	0.160
Number of reflections	9451	518
<I/σ(I)>	14.51
Completeness [%]	93.9
Redundancy	100.9
CC(1/2)	0.998	0.877

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	7%-9% PEG 6000, 100mM sodium chloride, 100mM magnesium nitrate, 100mM cadmium nitrate, 10mM copper chloride, 100mM Tris-HCl, pH 8.4