7N0Y
Rigidity of loop 1 contributes to equipotency of globular and ribbon isomers of alpha-conotoxin AusIA
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 | 2019-10-14 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.95365 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 73.295, 73.295, 347.743 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.930 - 2.580 |
| R-factor | 0.20691 |
| Rwork | 0.204 |
| R-free | 0.25320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5t90 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.848 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.930 | 2.690 |
| High resolution limit [Å] | 2.579 | 2.580 |
| Number of reflections | 35545 | 4231 |
| <I/σ(I)> | 20.8 | 3 |
| Completeness [%] | 99.8 | |
| Redundancy | 20 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 296.15 | 0.1 M calcium acetate hydrate, 18% PEG400, 0.1M MES pH 6.0 |
