9VBR
Farnesoid X Receptor Agonists_FXR fused with a HD3 peptide
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-12-10 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97861 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 161.010, 34.650, 111.084 |
| Unit cell angles | 90.00, 92.77, 90.00 |
Refinement procedure
| Resolution | 46.730 - 2.500 |
| R-factor | 0.2074 |
| Rwork | 0.205 |
| R-free | 0.25100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.658 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.730 | 2.586 |
| High resolution limit [Å] | 2.497 | 2.497 |
| Rmerge | 0.120 | |
| Rpim | 0.065 | |
| Number of reflections | 21109 | 1539 |
| <I/σ(I)> | 11.4 | |
| Completeness [%] | 99.8 | |
| Redundancy | 4.1 | |
| CC(1/2) | 0.983 | 0.708 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 50mM HEPES pH7.0, 3.5M sodium formate |
