6SXE
Crystal Structure of the Voltage-Gated Sodium Channel NavMs (F208L) in complex with Endoxifen (2.6 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) | 0.97966 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 110.108, 110.108, 210.164 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.540 - 2.600 |
| R-factor | 0.24 |
| Rwork | 0.238 |
| R-free | 0.27800 |
| 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] | 52.540 | 2.720 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 20152 | 2435 |
| <I/σ(I)> | 14.6 | 1.6 |
| Completeness [%] | 99.1 | 100 |
| Redundancy | 13.1 | 13.8 |
| CC(1/2) | 0.999 | 0.826 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 0.1 M MgCl2 hexahydrate, 0.1 M HEPES buffer, pH 8, 30% v/v polyethylene glycol (PEG) 500 and 4% ethylene glycol |
