1R5K
Human Estrogen Receptor alpha Ligand-Binding Domain In Complex With GW5638
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 105 |
| Detector technology | CCD |
| Collection date | 2002-08-21 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 136.031, 136.031, 357.626 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.950 - 2.700 |
| R-factor | 0.20788 |
| Rwork | 0.205 |
| R-free | 0.23561 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ert |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.339 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.790 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.072 | |
| Number of reflections | 53588 | |
| <I/σ(I)> | 12.7 | |
| Completeness [%] | 96.8 | |
| Redundancy | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.7 | 277 | Ethylene imine polymer, tri-sodium citrate, sodium chloride, yttrium chloride hexahydrate, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
