4PA3
Structure of NavMS in complex with channel blocking compound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-12-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.918401 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 80.030, 331.950, 80.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.540 - 3.250 |
| R-factor | 0.2152 |
| Rwork | 0.214 |
| R-free | 0.23030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Starting model 3ZJZ |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.120 |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.540 | 3.510 |
| High resolution limit [Å] | 3.250 | 3.250 |
| Rmerge | 0.204 | 0.178 |
| Number of reflections | 17145 | |
| <I/σ(I)> | 8.4 | 3.1 |
| Completeness [%] | 98.8 | 94.3 |
| Redundancy | 9.5 | 9.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 0.1 M Sodium Ctriate, 0.1 M TRIS, pH 8.0, 34 % PEG |
