9M16
Vitamin D receptor complex with a bis(2,3-dimethylphenyl)dimethylsilane derivative
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL32XU |
| Synchrotron site | SPring-8 |
| Beamline | BL32XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-07-17 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.8 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 154.612, 42.568, 42.271 |
| Unit cell angles | 90.00, 95.56, 90.00 |
Refinement procedure
| Resolution | 32.760 - 2.060 |
| R-factor | 0.1679 |
| Rwork | 0.166 |
| R-free | 0.19530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zlc |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.855 |
| 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] | 32.760 | 2.120 |
| High resolution limit [Å] | 2.060 | 2.060 |
| Rmerge | 0.061 | 0.229 |
| Number of reflections | 17156 | 1316 |
| <I/σ(I)> | 34.1 | 17.6 |
| Completeness [%] | 99.8 | 99.3 |
| Redundancy | 13.1 | |
| CC(1/2) | 0.999 | 0.987 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG 3350, Lithium citrate tribasic tetrahydrate, pH 8.4 |
