1QYG
ANTI-COCAINE ANTIBODY M82G2 COMPLEXED WITH BENZOYLECGONINE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-11-30 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.08 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 75.170, 75.170, 151.276 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 1.810 |
| R-factor | 0.178 |
| Rwork | 0.178 |
| R-free | 0.21600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1AR3 (CONSTANT DOMAIN) + PDB ENTRY 1AXT (VARIABLE DOMAIN) |
| RMSD bond length | 0.033 |
| RMSD bond angle | 2.610 |
| 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 | 1.870 |
| High resolution limit [Å] | 1.810 | 1.810 |
| Rmerge | 0.046 | 0.359 |
| Number of reflections | 38660 | |
| <I/σ(I)> | 26.3 | 3.89 |
| Completeness [%] | 84.4 | 75.2 |
| Redundancy | 4.52 | 4.08 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 298 | 2M ammonium sulfate, 5% iso-propanol, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
