4PA4
Structure of NavMS in complex with channel blocking compound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-10-21 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.91963 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 79.890, 327.330, 79.940 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.060 - 3.020 |
| R-factor | 0.231 |
| Rwork | 0.230 |
| R-free | 0.24430 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.090 |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.060 | 3.200 |
| High resolution limit [Å] | 3.020 | 3.020 |
| Rmerge | 0.156 | 0.690 |
| Number of reflections | 21190 | |
| <I/σ(I)> | 10.8 | 3.1 |
| Completeness [%] | 99.6 | 98 |
| Redundancy | 9.8 | 9.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 0.1 M sodium citrate, 0.1 M Tris, pH 8.0, 34 % PEG |
