6BVD
Structure of Botulinum Neurotoxin Serotype HA Light Chain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-E |
| Synchrotron site | APS |
| Beamline | 21-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-07-31 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97918 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 76.249, 160.745, 219.099 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.051 - 2.090 |
| R-factor | 0.1769 |
| Rwork | 0.176 |
| R-free | 0.19120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2a8a |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.237 |
| 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] | 109.550 | 2.130 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Number of reflections | 76651 | |
| <I/σ(I)> | 8.2 | |
| Completeness [%] | 96.0 | |
| Redundancy | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | 100 mM calcium acetate, 100 mM sodium cacodylate, 4% PEG 8000 |
