8DJ1

Crystal structure of NavAb V126T as a basis for the human Nav1.7 Inherited Erythromelalgia S241T 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	2021-04-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	I 4 2 2
Unit cell lengths	123.441, 123.441, 191.074
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.700 - 3.100
R-factor	0.2157
Rwork	0.214
R-free	0.25970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mwa
RMSD bond length	0.003
RMSD bond angle	0.554
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	3.150
High resolution limit [Å]	3.100	3.100
Rmerge	0.133	1.917
Rpim	0.059	0.891
Number of reflections	13526	659
<I/σ(I)>	12.8	0.9
Completeness [%]	98.6
Redundancy	6
CC(1/2)	0.994	0.479

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.2	277	1.8 M Ammonium Sulfate 0.1 M Sodium Citrate pH 5.2