6CZN
Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Z2OHTPE and a glucocorticoid receptor-interacting protein 1 NR box II 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) | 0.997 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.837, 81.659, 58.381 |
| Unit cell angles | 90.00, 111.07, 90.00 |
Refinement procedure
| Resolution | 46.100 - 2.500 |
| R-factor | 0.198 |
| Rwork | 0.196 |
| R-free | 0.23800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6cbz |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.555 |
| 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 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.480 |
| Rmerge | 0.050 | 0.480 |
| Number of reflections | 15539 | |
| <I/σ(I)> | 14.52 | 1.95 |
| Completeness [%] | 89.0 | 95.1 |
| Redundancy | 3.5 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 25% PEG 3,350, 200 mM MgCl2, Tris pH 8.0 |
