8HD3
Farnesoid X Receptor Agonists_FXR fused with a HD3 peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-09-18 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 161.032, 34.408, 110.830 |
| Unit cell angles | 90.00, 91.32, 90.00 |
Refinement procedure
| Resolution | 55.400 - 2.290 |
| R-factor | 0.2078 |
| Rwork | 0.205 |
| R-free | 0.25060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4WVD. |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.951 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (7.0.078) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.420 | 2.420 |
| High resolution limit [Å] | 2.290 | 2.290 |
| Rmerge | 0.063 | 0.588 |
| Rmeas | 0.073 | 0.674 |
| Rpim | 0.035 | 0.323 |
| Number of reflections | 27792 | 2715 |
| <I/σ(I)> | 9.9 | |
| Completeness [%] | 99.4 | 99.96 |
| Redundancy | 4.2 | |
| CC(1/2) | 0.998 | 0.850 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 50mM HEPES pH7.0, 3.5M sodium formate |
