1NDE
Estrogen Receptor beta with Selective Triazine Modulator
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 | 1998-09-15 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 65.558, 65.558, 239.300 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 3.000 |
| R-factor | 0.24 |
| Rwork | 0.240 |
| R-free | 0.27300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1err |
| RMSD bond length | 0.009 |
| RMSD bond angle | 2.010 * |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.090 | 0.400 |
| Total number of observations | 120828 * | |
| Number of reflections | 6757 * | |
| <I/σ(I)> | 3.1 | 3.1 |
| Completeness [%] | 98.1 | 100 |
| Redundancy | 20 | 20 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 50mM PIPES pH6.5, 200 mM lithium sulfate, 8-12% PEG35000, 5% sucrose, VAPOR DIFFUSION, HANGING DROP, temperature 22K, temperature 295K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | PIPES | 50 (mM) | pH6.5 |
| 2 | 1 | drop | lithium sulfate | 200 (mM) | |
| 3 | 1 | drop | PEG35000 | 8-12 (%) | |
| 4 | 1 | drop | sucrose | 5 (%) | |
| 5 | 1 | reservoir | glycerol | 5 (%) | |
| 6 | 1 | reservoir | PEG400 | 20 (%) |
