8QYI
OleP in complex with lithocholic acid in high salt crystallization conditions
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 11.2C |
| Synchrotron site | ELETTRA |
| Beamline | 11.2C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-03-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 249.373, 109.269, 160.658 |
| Unit cell angles | 90.00, 129.60, 90.00 |
Refinement procedure
| Resolution | 80.010 - 2.300 |
| R-factor | 0.17555 |
| Rwork | 0.173 |
| R-free | 0.22167 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.897 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.330 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.104 | 1.363 |
| Number of reflections | 147134 | 7277 |
| <I/σ(I)> | 12.1 | |
| Completeness [%] | 99.8 | |
| Redundancy | 6.5 | |
| CC(1/2) | 0.999 | 0.639 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | 4.4 M sodium formate |
