7WKZ
Crystal structure of the HSA complex with mycophenolate and aripiprazole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-12-02 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.998, 183.182, 59.175 |
| Unit cell angles | 90.00, 106.51, 90.00 |
Refinement procedure
| Resolution | 48.231 - 2.992 |
| Rwork | 0.196 |
| R-free | 0.24610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6a7p |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.234 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.100 |
| High resolution limit [Å] | 2.990 | 2.990 |
| Rmerge | 0.104 | 1.114 |
| Number of reflections | 24010 | 2315 |
| <I/σ(I)> | 12.44 | 1.52 |
| Completeness [%] | 98.4 | 95.2 |
| Redundancy | 6.2 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 32% PEG 3350, 50mM potassium phosphate pH 7.0 |
