7N0W
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 | 2019-12-03 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.95373 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 76.331, 76.331, 352.926 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.300 - 2.460 |
| R-factor | 0.21262 |
| Rwork | 0.211 |
| R-free | 0.24046 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5t90 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.683 |
| 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] | 48.300 | 2.550 |
| High resolution limit [Å] | 2.459 | 2.460 |
| Number of reflections | 44280 | 4459 |
| <I/σ(I)> | 19.5 | 2.2 |
| Completeness [%] | 99.2 | |
| Redundancy | 20 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 296.15 | 0.1 M calcium acetate hydrate, 12% PEG400, 0.1M MES pH 6.0 |
