7PX1
Conotoxin from Conus mucronatus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX IV BEAMLINE BioMAX |
| Synchrotron site | MAX IV |
| Beamline | BioMAX |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-12-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.7712 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 49.300, 109.360, 34.360 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.940 - 2.330 |
| R-factor | 0.2629 |
| Rwork | 0.261 |
| R-free | 0.30840 |
| Structure solution method | SAD |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.498 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | AutoSol |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.620 | 2.413 |
| High resolution limit [Å] | 2.330 | 2.330 |
| Rmerge | 0.210 | |
| Rmeas | 0.220 | |
| Rpim | 0.064 | 0.377 |
| Number of reflections | 8423 | 811 |
| <I/σ(I)> | 7.62 | |
| Completeness [%] | 99.7 | 99.88 |
| Redundancy | 12.3 | 12.8 |
| CC(1/2) | 0.994 | 0.607 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 294 | 0.1M NaOAc, 0.1M CdCl hemi(pentahydrate), pH 4.6, 30% w/v PEG400 |
