6P6Y

Crystal structure of voltage-gated sodium channel NavAb V100C/Q150C disulfide crosslinked mutant in the activated state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.000
Spacegroup name	I 4 2 2
Unit cell lengths	125.830, 125.830, 189.292
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.530 - 2.890
R-factor	0.2172
Rwork	0.214
R-free	0.27317
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rvy
RMSD bond length	0.008
RMSD bond angle	1.569
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.940
High resolution limit [Å]	2.890	2.890
Rmerge	0.125	0.649
Rmeas	0.130	0.703
Rpim	0.035	0.253
Number of reflections	16988	638
<I/σ(I)>	22.06	1.21
Completeness [%]	97.9	76.2
Redundancy	12.9	4.9
CC(1/2)	1.000	0.831

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	277	1.8 M ammonium sulfate 0.1 M sodium citrate pH 4.8