8H9O

Crystal structure of voltage-gated sodium channel NavAb N49K mutant in sodium 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	2015-12-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	I 4 2 2
Unit cell lengths	127.830, 127.830, 200.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.660 - 3.300
R-factor	0.256
Rwork	0.255
R-free	0.27180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yuc
RMSD bond length	0.012
RMSD bond angle	1.636
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]	29.660	3.400
High resolution limit [Å]	3.300	3.300
Rmerge	0.067	0.855
Rpim	0.019	0.230
Number of reflections	12883	1260
<I/σ(I)>	24.82
Completeness [%]	99.7
Redundancy	14.4
CC(1/2)	1.000	0.945

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING 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