1QKN
RAT OESTROGEN RECEPTOR BETA LIGAND-BINDING DOMAIN IN COMPLEX WITH ANTAGONIST RALOXIFENE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-11-30 |
| Detector | MARRESEARCH |
| Spacegroup name | P 41 2 2 |
| Unit cell lengths | 67.550, 67.550, 148.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.250 |
| Rwork | 0.204 |
| R-free | 0.26300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ere |
| RMSD bond length | 0.014 |
| RMSD bond angle | 0.038 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.290 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.077 * | 0.467 * |
| Total number of observations | 97187 * | |
| Number of reflections | 16904 | |
| <I/σ(I)> | 8.5 | 2 |
| Completeness [%] | 99.0 | 98.7 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 4.8 | 18 * | drop consists of 1:2 mixture of well and protein solutions * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 7-11 (mg/ml) | |
| 2 | 1 | reservoir | PEG4000 | 7.5 (%(w/v)) | |
| 3 | 1 | reservoir | ammonium acetate | 0.1 (M) | |
| 4 | 1 | reservoir | dimethylformamide | 3 (%(v/v)) | |
| 5 | 1 | reservoir | sodium acetate | 25 (mM) |
