4LAR
Crystal structure of a therapeutic single chain antibody in complex with amphetamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-17 |
| Detector | MARMOSAIC 325 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 34.545, 65.227, 48.593 |
| Unit cell angles | 90.00, 98.70, 90.00 |
Refinement procedure
| Resolution | 48.030 - 2.380 |
| R-factor | 0.219 |
| Rwork | 0.215 |
| R-free | 0.29300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gk2 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.865 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.380 |
| Rmerge | 0.093 |
| Number of reflections | 7947 |
| <I/σ(I)> | 24.9 |
| Completeness [%] | 93.3 |
| Redundancy | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.8 | 287.1 | 1.15M sodium citrate, 0.28M imidazole-malate, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 287.1K |
