9M10
Vitamin D receptor complex with a dimethylbis((3-trifluoromethyl)phenyl)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 | 2024-05-22 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 127.160, 43.010, 45.590 |
| Unit cell angles | 90.00, 93.31, 90.00 |
Refinement procedure
| Resolution | 45.510 - 2.020 |
| R-factor | 0.1856 |
| Rwork | 0.184 |
| R-free | 0.22150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zlc |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.637 |
| 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] | 45.520 | 2.140 |
| High resolution limit [Å] | 2.020 | 2.020 |
| Rmerge | 0.154 | 2.996 |
| Number of reflections | 16309 | 2580 |
| <I/σ(I)> | 9.62 | |
| Completeness [%] | 99.6 | |
| Redundancy | 8 | |
| CC(1/2) | 0.998 | 0.516 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M magnesium acetate tetrahydrate, PEG 3350, pH 7.9. |
