5MK8
Crystal structure of the receptor-binding domain of the FA hybrid Clostridium botulinum neurotoxin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-12-15 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 4 2 2 |
| Unit cell lengths | 118.009, 118.009, 173.826 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 118.009 - 1.950 |
| R-factor | 0.1808 |
| Rwork | 0.179 |
| R-free | 0.21170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.878 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 118.009 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 89871 | |
| <I/σ(I)> | 12.6 | 2.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 26 | 23.7 |
| CC(1/2) | 0.999 | 0.832 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289.15 | 4 M sodium formate, 0.1 M sodium acetate |
