1X7E
CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR ALPHA COMPLEXED WITH WAY-244
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-06-11 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.136, 79.895, 59.830 |
| Unit cell angles | 90.00, 116.19, 90.00 |
Refinement procedure
| Resolution | 14.910 - 2.800 |
| R-factor | 0.22 |
| Rwork | 0.219 |
| R-free | 0.28600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | COMPLEX STRUCTURE OF ER-BETA WITH GENESTEIN. |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.126 | 0.314 |
| Number of reflections | 11682 | |
| <I/σ(I)> | 7.36 | 2.17 |
| Completeness [%] | 96.3 | 90.7 |
| Redundancy | 2.52 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 291 | PEG3350, NaI, pH 7.40, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
