3K3Q
Crystal Structure of a Llama Antibody complexed with the C. Botulinum Neurotoxin Serotype A Catalytic Domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2008-10-16 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.033 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 168.282, 48.764, 103.643 |
| Unit cell angles | 90.00, 116.75, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.600 |
| Rwork | 0.218 |
| R-free | 0.25600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.640 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.117 | 0.314 |
| Number of reflections | 22641 | |
| <I/σ(I)> | 9.5 | 2.16 |
| Completeness [%] | 96.5 | 83.9 |
| Redundancy | 2.8 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 25% ethylene glycol, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
