9M14
Vitamin D receptor complex with a dimethyldi(m-tolyl)silane 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 PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 153.610, 44.750, 42.370 |
| Unit cell angles | 90.00, 95.73, 90.00 |
Refinement procedure
| Resolution | 42.950 - 2.000 |
| R-factor | 0.1923 |
| Rwork | 0.190 |
| R-free | 0.23150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zlc |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.630 |
| 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] | 42.960 | 2.120 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.098 | 1.124 |
| Number of reflections | 19595 | 3114 |
| <I/σ(I)> | 12.24 | 1.69 |
| Completeness [%] | 100.0 | |
| Redundancy | 7.4 | |
| CC(1/2) | 0.998 | 0.729 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG 3350, magnesium formate dihydrate, pH 7. |
