9UC2

Crystal structure of voltage-gated sodium channel NavAb N49K/S178A 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	2017-05-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	I 4 2 2
Unit cell lengths	126.590, 126.590, 201.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.760 - 2.800
R-factor	0.2574
Rwork	0.256
R-free	0.29450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.835
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]	44.760	2.900
High resolution limit [Å]	2.800	2.800
Rpim	0.039	0.669
Number of reflections	20546	642
<I/σ(I)>	21.82	1.24
Completeness [%]	84.6
Redundancy	102.9
CC(1/2)	0.998	0.813

Crystallization Conditions

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