2ETF
Crystal structure of full length botulinum neurotoxin (Type B) 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 | 2005-09-22 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 139.330, 101.940, 104.320 |
| Unit cell angles | 90.00, 129.61, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.290 |
| Rwork | 0.224 |
| R-free | 0.26430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1epw |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.610 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.370 |
| High resolution limit [Å] | 2.290 | 2.290 |
| Rmerge | 0.040 | 0.149 |
| Number of reflections | 48498 | |
| <I/σ(I)> | 13.5 | |
| Completeness [%] | 95.8 | 70.3 |
| Redundancy | 3.5 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | Ammonium sulphate, Sodium Cacodylate, pH 6.2, VAPOR DIFFUSION, SITTING DROP |
