8S6J
NavMs in complex with riluzole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I23 |
| Synchrotron site | Diamond |
| Beamline | I23 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2020-12-02 |
| Detector | DECTRIS PILATUS 12M |
| Wavelength(s) | 2.755 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 109.170, 109.170, 208.925 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 96.757 - 2.150 |
| Rwork | 0.229 |
| R-free | 0.24470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 2.178 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 96.944 | 2.210 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Number of reflections | 34745 | 2799 |
| <I/σ(I)> | 2.63 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 16 | 7.7 |
| CC(1/2) | 0.979 | 0.972 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 35%vPEG 300 100mM HEPES 100mM NaCl |
