8AMY
High-resolution crystal structure of the Mu8.1 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 | 2019-06-22 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.976254 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 52.860, 52.860, 137.430 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.620 - 1.670 |
R-factor | 0.1703 |
Rwork | 0.169 |
R-free | 0.20010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7px2 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.667 |
Data reduction software | xia2 |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.620 | 1.730 |
High resolution limit [Å] | 1.670 | 1.670 |
Rmerge | 0.067 | 1.000 |
Rmeas | 0.071 | 1.000 |
Rpim | 0.023 | 0.621 |
Number of reflections | 21222 | 1401 |
<I/σ(I)> | 16.59 | 1.03 |
Completeness [%] | 98.9 | 91.62 |
Redundancy | 8.2 | 3.4 |
CC(1/2) | 0.999 | 0.464 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 294 | 18% PEG 5000 MME. 0.2 M Ammonium sulfate, 0.1 M MES. |