1R1K
Crystal structure of the ligand-binding domains of the heterodimer EcR/USP bound to ponasterone A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2002-09-28 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9798 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 57.401, 57.401, 302.696 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.900 |
| R-factor | 0.243 |
| Rwork | 0.243 |
| R-free | 0.30400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Vitamin D receptor PDB entry 1DB1 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 20.900 * |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.970 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.052 * | 0.380 * |
| Total number of observations | 129598 * | |
| Number of reflections | 13703 | |
| Completeness [%] | 99.5 | 97.9 |
| Redundancy | 9.5 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8 * | 24 * | PEG 4000, ammonium sulfate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Tris | 25 (mM) | pH8.0 |
| 2 | 1 | drop | 100 (mM) | ||
| 3 | 1 | drop | 100 (mM) | ||
| 4 | 1 | drop | CHAPS | 4 (mM) | |
| 5 | 1 | drop | glycerol | 2 (%(v/v)) | |
| 6 | 1 | drop | protein | 4-6 (mg/ml) | |
| 7 | 1 | reservoir | PEG4000 | 30 (%) | |
| 8 | 1 | reservoir | ammonium sulfate | 0.2 (M) | |
| 9 | 1 | reservoir | sodium citrate | 0.1 (M) | pH5.6 |
