6D0F
Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with 3OHTPE and GRIP Peptide
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 |
| Collection date | 2018-02-21 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.007, 82.992, 58.587 |
| Unit cell angles | 90.00, 111.04, 90.00 |
Refinement procedure
| Resolution | 43.082 - 2.500 |
| R-factor | 0.2114 |
| Rwork | 0.210 |
| R-free | 0.24140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6cbz |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.758 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.693 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.060 | |
| Number of reflections | 14884 | |
| <I/σ(I)> | 25.43 | |
| Completeness [%] | 93.6 | 37 |
| Redundancy | 3.5 | 2.5 |
| CC(1/2) | 0.625 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 25% PEG 3,350, Tris pH 8.0, 200 mM MgCl2 |
