5V38
Crystal Structure of The Receptor-binding Domain of Botulinum Neurotoxin Type HA
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 | 2016-03-04 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 77.940, 80.121, 78.380 |
| Unit cell angles | 90.00, 105.94, 90.00 |
Refinement procedure
| Resolution | 49.230 - 1.800 |
| R-factor | 0.18 |
| Rwork | 0.179 |
| R-free | 0.21700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5jlv |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.001 |
| Data reduction software | iMOSFLM |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.230 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 83495 | |
| <I/σ(I)> | 8.1 | 2.2 |
| Completeness [%] | 97.5 | 97 |
| Redundancy | 3.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 100 mM sodium acetate, pH 4.2; 20% Polyethylene glyco (PEG) 3,350 |
