3R4S
Cell entry of botulinum neurotoxin type C is dependent upon interaction with two ganglioside molecules
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-06-10 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.9979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 98.381, 77.047, 108.567 |
| Unit cell angles | 90.00, 116.73, 90.00 |
Refinement procedure
| Resolution | 44.286 - 2.150 |
| R-factor | 0.1703 |
| Rwork | 0.168 |
| R-free | 0.20590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.013 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 44.300 |
| High resolution limit [Å] | 2.150 |
| Number of reflections | 78700 |
| Completeness [%] | 99.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.4 | 291 | 10%(v/v)PEG4000, 0.1M sodium citrate(pH4.4), 3% 6-aminohexanoic acid, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
