1YIN
Human estrogen receptor alpha ligand-binding domain in complex with compound 3F
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 | CCD |
| Collection date | 2003-08-08 |
| Detector | ADSC |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 58.850, 58.850, 277.830 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 - 2.200 |
| R-factor | 0.179 |
| R-free | 0.29600 |
| Structure solution method | ISOMORPHOUS REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.020 |
| Data reduction software | X-GEN |
| Data scaling software | X-GEN |
| Refinement software | SHELXL (97-1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.900 | 2.340 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.120 | 0.542 |
| Number of reflections | 14287 | |
| <I/σ(I)> | 21.595 | 2.544 |
| Completeness [%] | 91.6 | 94.3 |
| Redundancy | 14.528 | 14.86 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 2-10% PEG 3350, 0.02-0.20M MGCL2, IMIDAZOLE, pH 7.10, VAPOR DIFFUSION, HANGING DROP |
