9M17
Vitamin D receptor complex with a bis(3,5-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 BL45XU |
| Synchrotron site | SPring-8 |
| Beamline | BL45XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-05-16 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 151.710, 44.840, 42.190 |
| Unit cell angles | 90.00, 96.75, 90.00 |
Refinement procedure
| Resolution | 42.980 - 1.810 |
| R-factor | 0.1874 |
| Rwork | 0.186 |
| R-free | 0.21260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zlc |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.058 |
| 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] | 42.990 | 1.920 |
| High resolution limit [Å] | 1.810 | 1.810 |
| Rmerge | 0.020 | 28.500 |
| Number of reflections | 25925 | 4161 |
| <I/σ(I)> | 16 | 0.6 |
| Completeness [%] | 100.0 | |
| Redundancy | 18.5 | |
| CC(1/2) | 0.999 | 0.595 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG 3350, Sodium citrate tribasic dihydrate, pH 8.3 |
