7X7X
Human serum albumin complex with deschloro-aripiprazole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-10-25 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.90000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.325, 184.762, 59.542 |
| Unit cell angles | 90.00, 106.34, 90.00 |
Refinement procedure
| Resolution | 35.870 - 2.100 |
| R-factor | 0.2192 |
| Rwork | 0.217 |
| R-free | 0.25490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5yoq |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.585 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.230 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.054 | 0.733 |
| Number of reflections | 70209 | 11184 |
| <I/σ(I)> | 16.4 | 1.92 |
| Completeness [%] | 98.7 | 97.3 |
| Redundancy | 7 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 277 | 32% PEG 3350, 50mM potassium phosphate pH 7.4 |
