9AXN
Crystal Structure of Anti-Fentanyl Antibody HY11-6B2_Mu Fab in Complex with Fentanyl
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2021-07-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97741 |
| Spacegroup name | P 1 |
| Unit cell lengths | 69.777, 98.238, 159.724 |
| Unit cell angles | 77.73, 85.32, 77.95 |
Refinement procedure
| Resolution | 49.370 - 2.400 |
| R-factor | 0.2255 |
| Rwork | 0.224 |
| R-free | 0.26270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.697 |
| Data reduction software | HKL-3000 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.370 | 2.440 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.106 | 0.738 |
| Rmeas | 0.151 | 1.044 |
| Rpim | 0.106 | 0.738 |
| Total number of observations | 277415 | 13230 |
| Number of reflections | 154677 | 7517 |
| <I/σ(I)> | 5.8 | 1 |
| Completeness [%] | 97.7 | |
| Redundancy | 1.8 | 1.8 |
| CC(1/2) | 0.989 | 0.410 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 23% PEG 3350, 0.24M ammonium sulfate, 0.1M bis-tris pH 5.5, 0.01M NiCl2 |
