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 |