5T97
ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH (2E)-3-(4-{(1R)-6-hydroxy-1-methyl-2-[4-(propan-2 -yl)phenyl]-1,2,3,4- tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-07-31 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 105.920, 51.800, 95.170 |
| Unit cell angles | 90.00, 113.13, 90.00 |
Refinement procedure
| Resolution | 87.520 - 3.000 |
| R-factor | 0.2298 |
| Rwork | 0.227 |
| R-free | 0.29090 |
| Structure solution method | FOURIER SYNTHESIS |
| Data scaling software | SCALA |
| Refinement software | BUSTER-TNT (2.11.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 87.520 | 3.010 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.063 | 0.526 |
| Rmeas | 0.627 | |
| Rpim | 0.338 | |
| Total number of observations | 355 | |
| Number of reflections | 9648 | |
| <I/σ(I)> | 14.3 | 2.3 |
| Completeness [%] | 99.1 | 99.1 |
| Redundancy | 3.2 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 25% PEG 3350, 0.3 M Magnesium Chloride |
