4PP6
Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Resveratrol
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 | 2009-11-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.040, 84.670, 58.420 |
| Unit cell angles | 90.00, 108.32, 90.00 |
Refinement procedure
| Resolution | 33.651 - 2.201 |
| R-factor | 0.1698 |
| Rwork | 0.167 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qa8 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.003 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.8_1066)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.700 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.070 | 0.210 |
| Number of reflections | 22678 | |
| <I/σ(I)> | 12.6 | 2.9 |
| Completeness [%] | 86.1 | 36.4 |
| Redundancy | 2.5 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 294 | 15% PEG3350, 0.05 M magnesium chloride, 0.067 M sodium chloride, 0.1 M Tris, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
