6SXG

Crystal Structure of the Voltage-Gated Sodium Channel NavMs in complex with 4-hydroxytamoxifen (2.4 Angstrom resolution)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9797
Spacegroup name	I 4 2 2
Unit cell lengths	108.910, 108.910, 211.292
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.760 - 2.400
R-factor	0.223
Rwork	0.221
R-free	0.26100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5hvx
RMSD bond length	0.010
RMSD bond angle	0.980
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.760	2.490
High resolution limit [Å]	2.400	2.400
Number of reflections	25305	2619
<I/σ(I)>	20.4	3.8
Completeness [%]	100.0	100
Redundancy	16.1	15
CC(1/2)	0.999	0.976

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	0.1 M NaCl, 0.1 M CaCl2 dehydrate 0.1 M HEPES buffer, pH 6.5, 30 v/v polyethylene glycol (PEG) 400