2QGT
Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed to an Ether Estradiol Compound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-11-08 |
| Detector | SBC-3 |
| Wavelength(s) | 0.97945 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.171, 83.708, 56.007 |
| Unit cell angles | 90.00, 108.45, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.150 |
| R-factor | 0.194 |
| Rwork | 0.192 |
| R-free | 0.24000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3erd |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.149 |
| 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] | 50.000 | 2.230 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.118 | 0.395 |
| Number of reflections | 28301 | |
| <I/σ(I)> | 4.1 | 1.8 |
| Completeness [%] | 98.7 | 95.7 |
| Redundancy | 3.7 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 8.0 |
