2VUA
Crystal Structure of the Botulinum Neurotoxin Serotype A binding domain
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 | CCD |
| Collection date | 2007-11-18 |
| Detector | MARRESEARCH |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 73.000, 114.500, 105.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.730 - 1.700 |
| R-factor | 0.17 |
| Rwork | 0.168 |
| R-free | 0.20500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2nyy |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.478 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.800 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.040 | 0.530 |
| Number of reflections | 48513 | |
| <I/σ(I)> | 27 | 4.2 |
| Completeness [%] | 99.0 | 98.4 |
| Redundancy | 7.8 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.2 | 18% PEG3350, 0.2 M MGCL2, 0.1 M BISTRIS PH 5.2 |
