3A2H
Crystal structure of the rat vitamin D receptor ligand binding domain complexed with TEI-9647 and a synthetic peptide containing the NR2 box of DRIP 205
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2008-09-18 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 124.809, 45.349, 46.662 |
| Unit cell angles | 90.00, 100.13, 90.00 |
Refinement procedure
| Resolution | 40.360 - 2.500 |
| R-factor | 0.23282 |
| Rwork | 0.229 |
| R-free | 0.30939 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rk3 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.334 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.095 | 0.252 |
| Total number of observations | 28263 | |
| Number of reflections | 9008 | |
| <I/σ(I)> | 8.2 | 3.3 |
| Completeness [%] | 99.3 | 96.4 |
| Redundancy | 3.1 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 1.2M malonic acid, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
