6PSJ
Bazedoxifene in Complex with Y537S Estrogen Receptor Alpha Ligand Binding Domain
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 | IMAGE PLATE |
| Collection date | 2018-04-16 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 0.97 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 103.195, 56.491, 87.627 |
| Unit cell angles | 90.00, 104.32, 90.00 |
Refinement procedure
| Resolution | 29.140 - 1.800 |
| Rwork | 0.185 |
| R-free | 0.21460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5w9d |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rpim | 0.087 | 0.495 |
| Number of reflections | 43172 | 1889 |
| <I/σ(I)> | 18.76 | 9.06 |
| Completeness [%] | 95.0 | 82.8 |
| Redundancy | 3.6 | 2.9 |
| CC(1/2) | 0.609 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | PEG 8000, magnesium chloride |
