7VQP
Vitamin D receptor complexed with a lithocholic acid derivative
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-02-23 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9800 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 157.805, 37.581, 40.913 |
| Unit cell angles | 90.00, 98.59, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.940 |
| Rwork | 0.207 |
| R-free | 0.24240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zlc |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.514 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.010 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Number of reflections | 17530 | 1183 |
| <I/σ(I)> | 8.6 | 1.7 |
| Completeness [%] | 98.4 | 98.2 |
| Redundancy | 3.4 | 3.5 |
| CC(1/2) | 0.999 | 0.876 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 297 | 0.1 M MOPS-NaOH, 0.1-0.4 M sodium formate, 12-22% (w/v) PEG4000, 5% (v/v) ethylene glycol |
