2AJU
Cyrstal structure of cocaine catalytic antibody 7A1 Fab'
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-10-10 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0332 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 89.797, 117.256, 85.984 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.840 - 1.500 |
| R-factor | 0.18379 |
| Rwork | 0.181 |
| R-free | 0.22823 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ajs |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.570 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.9999) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.038 | 0.613 |
| Number of reflections | 72464 | |
| Completeness [%] | 99.5 | 97.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 295 | PEG 4000, ammonium sulfate, sodium acetate, flavin adenine dinucleotide, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
