2QA8
Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Mutant 537S Complexed with Genistein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-11-08 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.668, 77.957, 58.000 |
| Unit cell angles | 90.00, 109.05, 90.00 |
Refinement procedure
| Resolution | 19.890 - 1.850 |
| R-factor | 0.214 |
| Rwork | 0.211 |
| R-free | 0.26400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3erd |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.278 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.901 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.049 | 0.367 |
| Number of reflections | 38560 | |
| <I/σ(I)> | 20.78 | 1.79 |
| Completeness [%] | 97.0 | 76.29 |
| Redundancy | 3.1 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 8.0 |
