8Y57
Anti MDMA antibody 1bB11 complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 11C |
| Synchrotron site | PAL/PLS |
| Beamline | 11C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-06-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9794 |
| Spacegroup name | I 41 3 2 |
| Unit cell lengths | 254.120, 254.120, 254.120 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.840 - 3.200 |
| R-factor | 0.2476 |
| Rwork | 0.243 |
| R-free | 0.30110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.462 |
| Data reduction software | HKL-2000 (v717) |
| Data scaling software | HKL-2000 (v717) |
| Phasing software | PHENIX (1.19_4092) |
| Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.840 | 3.314 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.303 | 0.303 |
| Rmeas | 0.305 | 0.305 |
| Rpim | 0.035 | 0.035 |
| Number of reflections | 23445 | 1142 |
| <I/σ(I)> | 16.3 | 16.3 |
| Completeness [%] | 99.7 | |
| Redundancy | 75.9 | |
| CC(1/2) | 0.989 | 0.989 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 44%(v/v) PEG-400, pH 7.0 imidazole, 0.2M ammonium sulfate |
