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 |