8DJ0

Crystal structure of NavAb L123T as a basis for the human Nav1.7 Inherited Erythromelalgia I848T 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	2021-05-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	I 4 2 2
Unit cell lengths	124.970, 124.970, 190.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.180 - 2.700
R-factor	0.2088
Rwork	0.207
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mwa
RMSD bond length	0.007
RMSD bond angle	0.925
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	2.750
High resolution limit [Å]	2.700	2.700
Rmerge	0.148	1.018
Rpim	0.042	0.429
Number of reflections	20400	746
<I/σ(I)>	14	0.4
Completeness [%]	96.5	71.4
Redundancy	12	4.1
CC(1/2)	1.000	0.690

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	277	1.9 M Ammonium sulfate 0.1 M Sodium Citrate pH 4.6