5XZF
Vitamin D receptor with a synthetic ligand ADRO1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2015-06-17 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 154.070, 41.110, 41.420 |
| Unit cell angles | 90.00, 96.42, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.100 |
| R-factor | 0.16389 |
| Rwork | 0.161 |
| R-free | 0.21406 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3w5p |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.830 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 15183 | |
| <I/σ(I)> | 9.6 | 3.2 |
| Completeness [%] | 99.1 | 99.3 |
| Redundancy | 3.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M MOPS/NaOH, 0.2M sodium formate, 14-18%(w/v) PEG4000, 8%(v/v) ethylene glycol |
