3N7K
Crystal structure of botulinum neurotoxin serotype C1 binding domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-06-15 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 98.180, 77.350, 107.390 |
| Unit cell angles | 90.00, 116.36, 90.00 |
Refinement procedure
| Resolution | 29.840 - 2.500 |
| R-factor | 0.223 |
| Rwork | 0.223 |
| R-free | 0.28100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3n7j |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CCP4 |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.840 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 45896 | |
| <I/σ(I)> | 8.3 | 1.9 |
| Completeness [%] | 90.9 | 67.5 |
| Redundancy | 3.7 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 292 | 0.1M MES buffer pH 6.5, 12% PEG 20000, 0.5 M NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
