1IE8
Crystal Structure Of The Nuclear Receptor For Vitamin D Ligand Binding Domain Bound to KH1060
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 44.490, 51.870, 131.390 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 6.000 - 1.520 |
| R-factor | 0.212 * |
| Rwork | 0.212 |
| R-free | 0.23000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.500 |
| Data reduction software | DENZO |
| Data scaling software | CCP4 ((TRUNCATE)) |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.560 |
| High resolution limit [Å] | 1.520 | 1.520 |
| Rmerge | 0.048 | 0.290 |
| Number of reflections | 45925 | |
| <I/σ(I)> | 20.4 | 4.6 |
| Completeness [%] | 98.1 | 97.3 |
| Redundancy | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 4 * | Ammonium Sulfate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | MES/KOH | 50 (mM) | |
| 3 | 1 | drop | Tris-HCl | 5 (mM) | |
| 4 | 1 | drop | dithiothreitol | 10 (mM) | |
| 5 | 1 | drop | ammonium sulfate | 0.7 (M) | |
| 6 | 1 | reservoir | MES- KOH | 100 (mM) | |
| 7 | 1 | reservoir | ammonium sulfate | 1.4 (M) |
