6SXC

Crystal structure of the Voltage-Gated Sodium Channel NavMs (F208L) in complex with 4-hydroxytamoxifen (2.5 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	2019-05-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9762
Spacegroup name	I 4 2 2
Unit cell lengths	109.125, 109.125, 210.596
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.410 - 2.500
R-factor	0.231
Rwork	0.230
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5hvx
RMSD bond length	0.010
RMSD bond angle	1.040
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]	26.410	2.600
High resolution limit [Å]	2.500	2.500
Number of reflections	22430	2478
<I/σ(I)>	19.5	2.5
Completeness [%]	100.0	100
Redundancy	20	15
CC(1/2)	1.000	0.963

Crystallization Conditions

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