2A8A
Crystal structure of Clostridium botulinum neurotoxin serotype F light chain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-08-09 |
| Detector | MARRESEARCH 335 |
| Wavelength(s) | 1.100 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 63.413, 79.463, 89.660 |
| Unit cell angles | 90.00, 110.01, 90.00 |
Refinement procedure
| Resolution | 47.670 - 2.000 |
| R-factor | 0.2261 |
| Rwork | 0.226 |
| R-free | 0.26500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1f82 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.082 | 0.215 |
| Number of reflections | 26559 | |
| <I/σ(I)> | 11.1 | |
| Completeness [%] | 93.7 | 62.1 |
| Redundancy | 6.5 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 298 | Cadmium chloride, PEG 400, Na-cacodylate, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
