1Q72
Anti-Cocaine Antibody M82G2 Complexed with Cocaine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2003-06-27 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 75.386, 75.386, 150.817 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 1.700 |
| R-factor | 0.22 |
| Rwork | 0.218 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1AR3 (CONSTANT DOMAIN) + PDB ENTRY 1AXT (VARIABLE DOMAIN) |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.400 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.125 | |
| Total number of observations | 348644 * | |
| Number of reflections | 54352 | |
| <I/σ(I)> | 13.1 | 2 |
| Completeness [%] | 98.1 | 97.9 |
| Redundancy | 6.4 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 * | 298 | 2M ammonium sulfate, 5% iso-propanol, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Tris-HCl | 10 (mM) | pH8.0 |
| 2 | 1 | drop | protein | 5 (mg/ml) | |
| 3 | 1 | reservoir | ammonium sulfate | 2 (M) | |
| 4 | 1 | reservoir | isopropanol | 5 (%(v/v)) |
