6ZOI
A lid blocking mechanism of a cone snail toxin revealed at the atomic level
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2020-07-01 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5417 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 43.855, 90.327, 44.645 |
Unit cell angles | 90.00, 105.28, 90.00 |
Refinement procedure
Resolution | 42.306 - 1.798 |
R-factor | 0.184 |
Rwork | 0.182 |
R-free | 0.21850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6yht |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.310 | 1.863 |
High resolution limit [Å] | 1.798 | 1.798 |
Rpim | 0.050 | 0.231 |
Number of reflections | 30334 | 2916 |
<I/σ(I)> | 10.01 | |
Completeness [%] | 97.2 | |
Redundancy | 7.6 | |
CC(1/2) | 0.996 | 0.815 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 292 | 0.1M Sodium Chloride 9.1M Sodium Formate 0.1M Bis-Tris propane 25% PEG Smear Medium |