9EA9
Crystal structure of BoNT/A-NTNH-HA70 -VHH_F12-VHH_H7-Fab_NTNH complex
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2020-06-26 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 203.650, 203.650, 479.910 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 99.610 - 2.930 |
| R-factor | 0.2867 |
| Rwork | 0.286 |
| R-free | 0.30840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.599 |
| Data reduction software | RAPD |
| Data scaling software | pointless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21rc1_5107) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.610 | 3.000 |
| High resolution limit [Å] | 2.930 | 2.930 |
| Number of reflections | 414819 | 47750 |
| <I/σ(I)> | 4.73 | |
| Completeness [%] | 99.9 | 99.95 |
| Redundancy | 3.9 | |
| CC(1/2) | 0.994 | 0.013 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | 1.1M ammonium sulfate, 0.1M Na acetate pH 5 |
