8DIZ

Crystal structure of NavAb I119T as a basis for the human Nav1.7 Inherited Erythromelalgia I234T 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	124.760, 124.760, 192.426
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.110 - 2.750
R-factor	0.2281
Rwork	0.227
R-free	0.25460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rvy
RMSD bond length	0.008
RMSD bond angle	1.046
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	2.850
High resolution limit [Å]	2.750	2.750
Rmerge	0.156	1.318
Rpim	0.044	0.592
Number of reflections	20054	929
<I/σ(I)>	16.5	0.6
Completeness [%]	99.4	93
Redundancy	12.7	4.6
CC(1/2)	0.997	0.405

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	277	1.8-1.9 M Ammonium Sulfate 0.1 M Sodium Citrate pH 4.6