2A77
Anti-Cocaine Antibody 7.5.21, Crystal Form II
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 105 |
| Detector technology | CCD |
| Collection date | 2004-07-04 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.89996 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 112.410, 81.857, 61.608 |
| Unit cell angles | 90.00, 112.09, 90.00 |
Refinement procedure
| Resolution | 33.300 - 1.800 |
| Rwork | 0.218 |
| R-free | 0.26300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2a1w |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.040 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.044 | |
| Number of reflections | 46600 | |
| <I/σ(I)> | 33 | 1.7 |
| Completeness [%] | 97.0 | 87.2 |
| Redundancy | 4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 16% PEG8000, 0.3M ammonium sulfate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
