9VDQ

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	CCD
Collection date	2013-11-18
Detector	MAR CCD 300 mm
Wavelength(s)	1
Spacegroup name	I 4 2 2
Unit cell lengths	127.183, 127.183, 201.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.930 - 3.100
R-factor	0.2457
Rwork	0.241
R-free	0.28930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.453
Data reduction software	XDS
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.930	3.200
High resolution limit [Å]	3.100	3.100
Rpim	0.035	0.433
Number of reflections	15361	1079
<I/σ(I)>	21.38	1.95
Completeness [%]	96.2
Redundancy	14.6
CC(1/2)	0.999	0.886

Crystallization Conditions

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