1HJ1
RAT OESTROGEN RECEPTOR BETA LIGAND-BINDING DOMAIN IN COMPLEX WITH PURE ANTIOESTROGEN ICI164,384
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-02-23 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 60.380, 82.670, 106.340 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.300 |
| R-factor | 0.21966 * |
| Rwork | 0.220 |
| R-free | 0.25051 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qkn |
| RMSD bond length | 0.012 |
| RMSD bond angle | 0.035 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.060 * | 0.326 * |
| Total number of observations | 185069 * | |
| Number of reflections | 12201 | |
| <I/σ(I)> | 14.4 | 2 |
| Completeness [%] | 98.2 | 98.6 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8.5 | 18 * | 7.0% (W/V) PEG 2000 MONOMETHYL ETHER 0.0035M NICKEL CHLORIDE 0.035M TRIS-HCL, PH 8.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | reservoir | PEG2000 MME | 7 (%(w/v)) | |
| 3 | 1 | reservoir | 3.5 (mM) | ||
| 4 | 1 | reservoir | dioxane | 10 (%(v/v)) | |
| 5 | 1 | reservoir | Tris-HCl | 35 (mM) | pH8.5 |
