5HYR
Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Stapled Peptide SRC2-SP2 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] | 77 |
| Detector technology | CCD |
| Collection date | 2015-08-11 |
| Detector | SBC-3 |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.856, 84.832, 58.148 |
| Unit cell angles | 90.00, 108.85, 90.00 |
Refinement procedure
| Resolution | 23.634 - 2.271 |
| R-factor | 0.2048 |
| Rwork | 0.202 |
| R-free | 0.25200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3erd |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.772 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.630 | 2.400 |
| High resolution limit [Å] | 2.270 | 2.270 |
| Rmerge | 0.092 | |
| Number of reflections | 23579 | |
| <I/σ(I)> | 1.6 | |
| Completeness [%] | 99.8 | |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293.15 | PEG 3,350, MgCl2, Tris pH 8.0 |
