2AK1
Crystal Structure of Cocaine catalytic Antibody 7A1 Fab' in Complex with benzoic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-12-22 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.07810 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.595, 89.106, 153.454 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.850 |
| Rwork | 0.217 |
| R-free | 0.23800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ajs |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.890 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.058 | 0.571 |
| Number of reflections | 48913 | |
| Completeness [%] | 99.6 | 97.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 295 | PEG 4000, zinc acetate, sodium acetate, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
