1YYE
Crystal structure of estrogen receptor beta complexed with way-202196
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-01-15 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.075, 88.504, 100.139 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.030 |
| R-factor | 0.223 |
| Rwork | 0.223 |
| R-free | 0.26900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | ours ER-beta-genistein complex structure |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.300 |
| 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] | 20.000 | 2.100 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Rmerge | 0.053 | 0.489 |
| Number of reflections | 30401 | |
| <I/σ(I)> | 18.2 | 2.8 |
| Completeness [%] | 98.5 | 95.7 |
| Redundancy | 3.98 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 7.8 | 291 | 20% PEG3350, 0.2M Mg Acetate, pH7.8, EVAPORATION, temperature 291K |
