8H9W

Crystal structure of voltage-gated sodium channel NavAb N49K mutant in calcium ion condition

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	2018-01-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	I 4 2 2
Unit cell lengths	128.030, 128.030, 202.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.810 - 2.700
R-factor	0.2505
Rwork	0.250
R-free	0.26380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yuc
RMSD bond length	0.009
RMSD bond angle	1.154
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.810	2.800
High resolution limit [Å]	2.700	2.700
Number of reflections	23425	1270
<I/σ(I)>	24.01
Completeness [%]	94.8
Redundancy	26.2
CC(1/2)	0.999	0.883

Crystallization Conditions

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