2QH6
Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed with an Oxabicyclic diarylethylene Compound
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] | 100 |
| Detector technology | CCD |
| Collection date | 2004-11-08 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9734 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.765, 81.718, 58.310 |
| Unit cell angles | 90.00, 109.90, 90.00 |
Refinement procedure
| Resolution | 19.730 - 2.700 |
| R-factor | 0.209 |
| Rwork | 0.205 |
| R-free | 0.29100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3erd |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.920 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.113 | 0.546 |
| Number of reflections | 13294 | |
| <I/σ(I)> | 14.8 | 3.47 |
| Completeness [%] | 97.8 | 98.7 |
| Redundancy | 3.5 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 8.0 |
