2IOG
Human estrogen receptor alpha ligand-binding domain in complex with compound 11F
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 | 2001-09-04 |
| Detector | ADSC |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 58.220, 58.220, 276.660 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 - 1.600 |
| R-factor | 0.212 |
| R-free | 0.32800 |
| Structure solution method | ISOMORPHOUS REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.026 |
| 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 | 1.700 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.117 | 0.869 |
| Number of reflections | 68081 | |
| <I/σ(I)> | 32.053 | 2.722 |
| Completeness [%] | 97.7 | 89.4 |
| Redundancy | 13.28 | 7.37 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.1 | 297 | 2-10% PEG 3350, 0.02-0.20M MGCL2, IMIDAZOLE, VAPOR DIFFUSION, HANGING DROP, PH 7.10, temperature 297K |
