5YUB

Crystal structure of voltage-gated sodium channel NavAb E32Q mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-05
Detector	RAYONIX MX225-HS
Wavelength(s)	1
Spacegroup name	I 4 2 2
Unit cell lengths	127.040, 127.040, 202.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.062 - 3.400
R-factor	0.243872770287
Rwork	0.241
R-free	0.27284
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yua
RMSD bond length	0.011
RMSD bond angle	1.171
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	phenix.refine (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.070	3.521
High resolution limit [Å]	3.400	3.400
Rmerge	0.243	1.924
Rpim	0.069	0.543
Number of reflections	11773
<I/σ(I)>	14.86
Completeness [%]	86.4
Redundancy	13.9
CC(1/2)	0.998	0.845

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	10% polyethylene glycol monomethyl ether 2000, 100 mM NaCl, 100 mM calcium nitrate, 100 mM Tris-HCl, pH 8