2QXS
Crystal Structure of Antagonizing Mutant 536S of the Estrogen Receptor Alpha Ligand Binding Domain Complexed to Raloxifene
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-03-16 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9764 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 101.588, 58.102, 87.950 |
| Unit cell angles | 90.00, 102.66, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.700 |
| R-factor | 0.184 |
| Rwork | 0.183 |
| R-free | 0.21600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1err |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.464 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.066 | 0.303 |
| Number of reflections | 55230 | |
| <I/σ(I)> | 22.3 | 5.5 |
| Completeness [%] | 99.9 | 99 |
| Redundancy | 6.7 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
