6P6X

Crystal structure of voltage-gated sodium channel NavAb G94C/Q150C mutant in the activated state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2018-09-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.000
Spacegroup name	I 4 2 2
Unit cell lengths	124.449, 124.449, 193.339
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.040 - 2.750
R-factor	0.21579
Rwork	0.213
R-free	0.26543
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rvy
RMSD bond length	0.011
RMSD bond angle	1.741
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	2.800
High resolution limit [Å]	2.750	2.750
Rmerge	0.117
Rmeas	0.120
Rpim	0.026	0.375
Number of reflections	19146	556
<I/σ(I)>	27.75	1
Completeness [%]	94.8	56.3
Redundancy	19.6	8.4
CC(1/2)	1.000	0.630

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	277	1.8 M ammonium sulfate 0.1 M sodium citrate pH 5.6