1UOM
The Structure of Estrogen Receptor in Complex with a Selective and Potent Tetrahydroisochiolin Ligand.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM1A |
| Synchrotron site | ESRF |
| Beamline | BM1A |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-01-25 |
| Detector | MARRESEARCH |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 58.200, 58.200, 274.600 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 9.990 - 2.280 |
| Rwork | 0.235 |
| R-free | 0.28700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ert |
| RMSD bond length | 0.007 |
| RMSD bond angle | 17.900 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNX (2000) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 2.320 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rmerge | 0.053 | 0.230 |
| Number of reflections | 10439 | |
| <I/σ(I)> | 17.5 | 10.7 |
| Completeness [%] | 77.8 | 68.8 |
| Redundancy | 5.5 | 17.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8 * | 0.1 M MES PH 6.5 9-11% PEG-3350, 0.4 M NACL |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | MES | 100 (mM) | pH6.5 |
| 2 | 1 | reservoir | PEG3350 | 9-11 (%) | |
| 3 | 1 | reservoir | 400 (mM) | ||
| 4 | 1 | drop | protein | 9.2 (mg/ml) | |
| 5 | 1 | drop | Tris | 50 (mM) | pH8.0 |
| 6 | 1 | drop | 50 (mM) | ||
| 7 | 1 | drop | dithiothreitol | 2 (mM) | |
| 8 | 1 | drop | 18a | 2000 (nM) |
