4PA9
Structure of NavMS in complex with channel blocking compound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-06-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.915010 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 80.320, 330.550, 80.250 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.420 - 3.430 |
| R-factor | 0.2877 |
| Rwork | 0.287 |
| R-free | 0.29410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | starting model 3ZJZ |
| 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] | 45.420 | 3.700 |
| High resolution limit [Å] | 3.430 | 3.430 |
| Rmerge | 0.440 | 0.627 |
| Number of reflections | 14756 | |
| <I/σ(I)> | 9.8 | 4.3 |
| Completeness [%] | 99.3 | 96.8 |
| Redundancy | 31 | 13.2 |
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 |
