1SJ0
Human Estrogen Receptor Alpha Ligand-binding Domain in Complex with the Antagonist Ligand 4-D
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 | 2001-05-13 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 58.480, 58.480, 276.080 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 - 1.900 |
| R-factor | 0.218 |
| Rwork | 0.218 |
| R-free | 0.27200 |
| Structure solution method | ISOMORPHOUS REPLACEMENT |
| RMSD bond length | 0.005 |
| 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 | 2.020 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.070 | 0.356 |
| Number of reflections | 19370 | |
| <I/σ(I)> | 39.983 | 3.042 |
| Completeness [%] | 82.8 | 54.1 |
| Redundancy | 6.228 | 2.32 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 2-10% PEG 3350, 0.02-0.20 MMGCL2, PH 7.1 Imidazole , VAPOR DIFFUSION, HANGING DROP |
