7N9O
Estrogen Receptor Alpha Ligand Binding Domain in Complex with Aliphatic SERD S-C10(15)
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 | 2019-06-03 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.97 |
Spacegroup name | P 32 |
Unit cell lengths | 58.158, 58.158, 274.394 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.540 - 2.000 |
R-factor | 0.1842 |
Rwork | 0.182 |
R-free | 0.22500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ufx |
RMSD bond length | 0.007 |
RMSD bond angle | 1.032 |
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 | 2.073 |
High resolution limit [Å] | 2.000 | 2.000 |
Rpim | 0.011 | |
Number of reflections | 66111 | 3634 |
<I/σ(I)> | 23.83 | |
Completeness [%] | 94.5 | |
Redundancy | 5.5 | |
CC(1/2) | 0.990 | 0.635 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | PEG 8000, magnesium chloride |