7SFO
Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 3-(((2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino)methyl)phenol 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 | 2021-09-29 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.089, 83.286, 58.486 |
| Unit cell angles | 90.00, 108.92, 90.00 |
Refinement procedure
| Resolution | 44.750 - 1.900 |
| R-factor | 0.1794 |
| Rwork | 0.177 |
| R-free | 0.22550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6cbz |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Refinement software | PHENIX (1.18.2-3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 40060 | 2005 |
| <I/σ(I)> | 6612 | |
| Completeness [%] | 99.7 | |
| Redundancy | 3.8 | |
| CC(1/2) | 0.999 | 0.670 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | PEG 8,000, HEPES pH 8.0, MgCl2 |
