6A7P
Human serum albumin complexed with 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 | 2017-12-08 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.201, 184.931, 59.269 |
| Unit cell angles | 90.00, 106.68, 90.00 |
Refinement procedure
| Resolution | 48.383 - 2.280 |
| R-factor | 0.2109 |
| Rwork | 0.207 |
| R-free | 0.25480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5yoq |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.424 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.420 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rmerge | 0.083 | 0.468 |
| Number of reflections | 54292 | 8793 |
| <I/σ(I)> | 14.2 | 3.3 |
| Completeness [%] | 97.7 | 99.1 |
| Redundancy | 6.7 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 32% PEG 3350, 50mM potassium phosphate buffer pH 7.0 |
