7UJ7
Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with RU39411
Replaces: 6VJ1Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-06-19 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.987 |
Spacegroup name | P 1 |
Unit cell lengths | 58.110, 58.980, 87.880 |
Unit cell angles | 101.83, 90.01, 119.51 |
Refinement procedure
Resolution | 29.220 - 1.680 |
R-factor | 0.2 |
Rwork | 0.198 |
R-free | 0.24000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ufx |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.740 |
High resolution limit [Å] | 1.680 | 1.680 |
Rpim | 0.031 | |
Number of reflections | 105736 | 4825 |
<I/σ(I)> | 22 | |
Completeness [%] | 94.4 | |
Redundancy | 3.6 | |
CC(1/2) | 0.510 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298.15 | PEG 3350, Tris pH 7.5, MgCl2 |