8DIW

Crystal structure of NavAb E96P as a basis for the human Nav1.7 Inherited Erythromelalgia S211P 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	2020-11-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	I 4 2 2
Unit cell lengths	123.120, 123.120, 191.551
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.960 - 3.110
R-factor	0.2271
Rwork	0.225
R-free	0.27230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mwa
RMSD bond length	0.003
RMSD bond angle	0.680
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	0.121	1.227
Rpim	0.054	0.534
Number of reflections	13391	619
<I/σ(I)>	10.7	0.79
Completeness [%]	98.2	90.1
Redundancy	5.1	4.6
CC(1/2)	0.990	0.517

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.4	277	1.7-1.8 M Ammonium Sulfate 0.1 M Sodium Citrate pH 5.4