7TXF
The allosteric binding mode of alphaD-conotoxin VxXXB
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-07-04 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.95365 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.909, 119.573, 150.733 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.360 - 2.470 |
| R-factor | 0.20033 |
| Rwork | 0.198 |
| R-free | 0.24635 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5t90 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.813 |
| Data reduction software | MOSFLM (3.27) |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.360 | 2.550 |
| High resolution limit [Å] | 2.470 | 2.470 |
| Rmerge | 0.066 | 1.178 |
| Number of reflections | 45467 | 4181 |
| <I/σ(I)> | 11.5 | |
| Completeness [%] | 99.4 | |
| Redundancy | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 296.15 | 0.91 M lithium chloride, 16% PEG6000 and 0.1 M MES monohydrate pH 6.4 |
