2QGW
Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed with a Chloro-Indazole 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 |
| Detector | SBC |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.053, 84.266, 58.213 |
| Unit cell angles | 90.00, 108.48, 90.00 |
Refinement procedure
| Resolution | 33.370 - 2.390 |
| R-factor | 0.241 |
| Rwork | 0.238 |
| R-free | 0.29600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3erd |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.341 |
| 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 | 2.430 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.097 | 0.415 |
| Number of reflections | 20938 | |
| <I/σ(I)> | 4.7 | 1.8 |
| Completeness [%] | 95.7 | 93.6 |
| Redundancy | 3.8 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | VAPOR DIFFUSION, HANGING DROP, temperature 298K |
