5UFX
Estrogen Receptor Alpha Ligand Binding Domain in Complex with OP1074
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 | 2016-06-15 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 102.722, 58.015, 87.834 |
| Unit cell angles | 90.00, 102.89, 90.00 |
Refinement procedure
| Resolution | 19.988 - 1.550 |
| R-factor | 0.1969 |
| Rwork | 0.195 |
| R-free | 0.22990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5acc |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.121 |
| Data reduction software | PHENIX (1.9_1692) |
| Data scaling software | PHENIX (1.9_1692) |
| Phasing software | PHENIX (1.9_1692) |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.530 | |
| Number of reflections | 70195 | |
| <I/σ(I)> | 8.07 | 15.18 |
| Completeness [%] | 96.2 | 99.9 |
| Redundancy | 3.6 | 3.2 |
| CC(1/2) | 0.750 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298.15 | 10% PEG 3,350, Bis-Tris pH 6.2, 200 mM MgCl2 |
