9VOH
Vitamin D receptor complex with a 4-(m-carboran-1-yl)phenoxyacetic acid 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 | 2025-06-03 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 156.250, 41.420, 42.240 |
| Unit cell angles | 90.00, 96.49, 90.00 |
Refinement procedure
| Resolution | 41.970 - 1.980 |
| R-factor | 0.1938 |
| Rwork | 0.192 |
| R-free | 0.22530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.550 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.970 | 2.100 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Number of reflections | 18975 | 3014 |
| <I/σ(I)> | 9.1 | 1.24 |
| Completeness [%] | 100.0 | |
| Redundancy | 23.9 | |
| CC(1/2) | 0.996 | 0.818 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2M Ammonium Citrate Tribasic pH 7.0, 20% w/v PEG 3350 |
