9UC3

Crystal structure of voltage-gated sodium channel NavAb N49K/S178G 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	128.130, 128.130, 200.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.300 - 2.900
R-factor	0.2728
Rwork	0.271
R-free	0.29940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.700
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]	45.300	3.004
High resolution limit [Å]	2.900	2.900
Rpim	0.023	0.974
Number of reflections	18874	565
<I/σ(I)>	19.38	0.95
Completeness [%]	85.0
Redundancy	68.2
CC(1/2)	0.997	0.712

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