9M11
Vitamin D receptor complex with a bis(3-chlorophenyl)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 | 152.590, 45.150, 42.360 |
| Unit cell angles | 90.00, 98.46, 90.00 |
Refinement procedure
| Resolution | 43.260 - 2.050 |
| R-factor | 0.206 |
| Rwork | 0.204 |
| R-free | 0.24270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zlc |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.547 |
| 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] | 43.270 | 2.170 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.290 | 3.870 |
| Number of reflections | 18141 | 2807 |
| <I/σ(I)> | 8.6 | 0.6 |
| Completeness [%] | 100.0 | |
| Redundancy | 20.2 | |
| CC(1/2) | 0.998 | 0.662 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG 3350, sodium formate, pH 7.2 |
