8Z36
Crystal structure of HOIP PUB domain in complex with sertraline complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-06-18 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 92.173, 114.806, 66.130 |
| Unit cell angles | 90.00, 110.52, 90.00 |
Refinement procedure
| Resolution | 34.530 - 2.630 |
| R-factor | 0.2252 |
| Rwork | 0.220 |
| R-free | 0.26920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.488 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.19_4092: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.100 | 2.750 |
| High resolution limit [Å] | 2.630 | 2.630 |
| Rmerge | 0.099 | 0.493 |
| Number of reflections | 18841 | 2295 |
| <I/σ(I)> | 10.5 | |
| Completeness [%] | 98.3 | |
| Redundancy | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 20 mM Na3PO4, 20 mM K3PO4, pH 7.5, 20% PEG 3350 |
