9M18
Vitamin D receptor complex with a diallyldiphenylsilane derivative
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-07-21 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 154.333, 41.498, 41.990 |
| Unit cell angles | 90.00, 95.38, 90.00 |
Refinement procedure
| Resolution | 41.810 - 1.960 |
| R-factor | 0.2074 |
| Rwork | 0.206 |
| R-free | 0.23570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zlc |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.765 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.810 | 2.030 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.066 | 1.250 |
| Number of reflections | 19186 | 1881 |
| <I/σ(I)> | 10.3 | 0.8 |
| Completeness [%] | 99.4 | |
| Redundancy | 3.3 | 3.36 |
| CC(1/2) | 0.995 | 0.644 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG 3350, Sodium phosphate dibasic dihydrate, pH 9.1 |
