3W0J
Crystal Structure of Rat VDR Ligand Binding Domain in Complex with Novel Nonsecosteroidal Ligands
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL32XU |
| Synchrotron site | SPring-8 |
| Beamline | BL32XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-05-21 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 154.214, 42.390, 42.144 |
| Unit cell angles | 90.00, 94.89, 90.00 |
Refinement procedure
| Resolution | 40.860 - 1.840 |
| R-factor | 0.22508 |
| Rwork | 0.223 |
| R-free | 0.25863 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rk3 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.276 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.860 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 17224 | |
| Completeness [%] | 97.8 | 97.79 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.1M MOPS (pH7.0), 16-18% PEG 4000, 0.2M sodium formate, 5% ethylene glycol , VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |
