5JMC
Receptor binding domain of Botulinum neurotoxin A in complex with rat SV2C
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 | 2014-03-06 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979180 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 88.662, 143.989, 110.917 |
| Unit cell angles | 90.00, 93.62, 90.00 |
Refinement procedure
| Resolution | 87.759 - 2.640 |
| R-factor | 0.2413 |
| Rwork | 0.239 |
| R-free | 0.27470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fuo |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.219 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 87.760 | 2.730 |
| High resolution limit [Å] | 2.640 | 2.640 |
| Rmerge | 0.151 | 1.132 |
| Number of reflections | 81176 | |
| <I/σ(I)> | 9.09 | 1.43 |
| Completeness [%] | 99.4 | 99.2 |
| Redundancy | 3.4 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 100 mM sodium cacodylate, pH 6.5, 13% polyethylene glycol (PEG) 3350, 200 mM NaCl |
