1TXI
Crystal structure of the vdr ligand binding domain complexed to TX522
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 1999-05-30 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.918 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.259, 52.504, 132.930 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.191 |
| Rwork | 0.191 |
| R-free | 0.21800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.100 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.880 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Number of reflections | 26792 | |
| <I/σ(I)> | 3.6 | |
| Completeness [%] | 99.0 | 98 |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | Ammonium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
