8DIY

Crystal structure of NavAb L101S as a basis for the human Nav1.7 Inherited Erythromelalgia F216S mutation

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	2021-04-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	I 4 2 2
Unit cell lengths	125.060, 125.060, 190.743
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.990 - 2.850
R-factor	0.2238
Rwork	0.222
R-free	0.25350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mwa
RMSD bond length	0.009
RMSD bond angle	1.036
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	2.900
High resolution limit [Å]	2.850	2.850
Rmerge	0.153	1.344
Rpim	0.059	0.674
Number of reflections	17973	841
<I/σ(I)>	13.5
Completeness [%]	99.7	96.9
Redundancy	7.5	4.3
CC(1/2)	0.994	0.548

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	277	1.7-1.8 M Ammonium Sulfate 0.1 M Sodium Citrate pH 4.8