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 |