6DKK
Structure of BoNT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-12-13 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97945 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 167.659, 167.659, 222.834 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 52.010 - 2.700 |
| R-factor | 0.2098 |
| Rwork | 0.209 |
| R-free | 0.22340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3v0a |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.167 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.010 | 2.830 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.064 | 0.609 |
| Number of reflections | 32915 | |
| <I/σ(I)> | 12.8 | |
| Completeness [%] | 99.3 | |
| Redundancy | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.1 | 291 | 1.4 M sodium potassium phosphate and 0.1 M potassium sodium tartrate tetrahydrate |
