1YIM
Human estrogen receptor alpha ligand-binding domain in complex with compound 4
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 | 2002-11-08 |
| Detector | ADSC |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 58.550, 58.550, 276.600 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 - 1.900 |
| R-factor | 0.19 |
| R-free | 0.25800 |
| Structure solution method | ISOMORPHOUS REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.021 |
| 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 | 2.020 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.085 | 0.513 |
| Number of reflections | 23426 | |
| <I/σ(I)> | 37.243 | 3.228 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 18.388 | 16.03 |
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 |
