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 |