9M12
Vitamin D receptor complex with a bis(3-ethylphenyl)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 PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.890, 44.980, 128.710 |
| Unit cell angles | 90.00, 94.82, 90.00 |
Refinement procedure
| Resolution | 45.730 - 1.860 |
| R-factor | 0.1911 |
| Rwork | 0.190 |
| R-free | 0.21710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zlc |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.799 |
| 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] | 45.740 | 1.970 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.250 | 2.450 |
| Number of reflections | 44422 | 6961 |
| <I/σ(I)> | 8.4 | 1.5 |
| Completeness [%] | 99.9 | |
| Redundancy | 6.7 | |
| CC(1/2) | 0.995 | 0.588 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG 3350, magnesium formate dihydrate, pH 7. |
