5EIT
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the imidazopyridine derivative 2-(4-hydroxyphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-ol
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 | 2011-07-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.708, 82.309, 58.437 |
| Unit cell angles | 90.00, 111.03, 90.00 |
Refinement procedure
| Resolution | 45.467 - 2.680 |
| R-factor | 0.1881 |
| Rwork | 0.182 |
| R-free | 0.23850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.564 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.730 |
| High resolution limit [Å] | 2.680 | 7.270 | 2.680 |
| Rmerge | 0.075 | 0.036 | 0.295 |
| Total number of observations | 53298 | ||
| Number of reflections | 14047 | ||
| <I/σ(I)> | 11 | 5.93 | |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 3.8 | 3.6 | 3.8 |
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 |
