8DIX

Structure of NavAb L98R as a basis for the human Nav1.7 Inherited Erythromelalgia L823R mutation

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	2019-11-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	I 4 2 2
Unit cell lengths	126.058, 126.058, 192.445
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.570 - 3.300
R-factor	0.2316
Rwork	0.230
R-free	0.25520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rvy
RMSD bond length	0.005
RMSD bond angle	0.806
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.360
High resolution limit [Å]	3.300	3.300
Rmerge	0.199	1.379
Rpim	0.062	0.516
Number of reflections	11997	542
<I/σ(I)>	12.2
Completeness [%]	99.4	92.3
Redundancy	11	7.5
CC(1/2)	0.993	0.526

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	277	1.8-1.9 M Ammonium Sulfate 0.1 M Sodium Citrate pH 4.8