5DTV
Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a dimethyl-substituted, 3,4-diarylthiophene dioxide core ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-07-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.046, 82.835, 58.904 |
| Unit cell angles | 90.00, 110.53, 90.00 |
Refinement procedure
| Resolution | 46.713 - 2.295 |
| R-factor | 0.2105 |
| Rwork | 0.207 |
| R-free | 0.24750 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.646 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1690) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.713 | 2.380 |
| High resolution limit [Å] | 2.295 | 2.295 |
| Rmerge | 0.070 | 0.360 |
| Number of reflections | 21983 | |
| <I/σ(I)> | 25.1 | 1.8 |
| Completeness [%] | 98.8 | 98.69 |
| Redundancy | 6.5 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 294 | 15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris |
