4LAS
Crystal structure of a therapeutic single chain antibody in complex with 4-hydroxymethamphetamine
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 | 34.279, 65.297, 48.574 |
| Unit cell angles | 90.00, 98.36, 90.00 |
Refinement procedure
| Resolution | 33.940 - 2.330 |
| R-factor | 0.164 |
| Rwork | 0.160 |
| R-free | 0.23800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.594 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.330 |
| Rmerge | 0.053 |
| Number of reflections | 8577 |
| <I/σ(I)> | 32.4 |
| Completeness [%] | 93.3 |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 287.15 | 1.6M ammonium sulfate, 240 mM imidazole malate, pH 8.0., VAPOR DIFFUSION, HANGING DROP, temperature 287.15K |
