5DXE
Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Stapled Peptide SRC2-P4 and Estradiol
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 | 2015-08-11 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.009, 85.181, 58.291 |
| Unit cell angles | 90.00, 108.64, 90.00 |
Refinement procedure
| Resolution | 27.610 - 1.500 |
| R-factor | 0.179 |
| Rwork | 0.178 |
| R-free | 0.20100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5dx3 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.628 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.610 | 1.520 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.200 | |
| Number of reflections | 72916 | |
| <I/σ(I)> | 1.9 | |
| Completeness [%] | 99.9 | 20 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 20% PEG 3,350, 200 mM MgCl2, 100 mM Tris pH 8.0 |
