2QGT
Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed to an Ether Estradiol Compound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-11-08 |
Detector | SBC-3 |
Wavelength(s) | 0.97945 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.171, 83.708, 56.007 |
Unit cell angles | 90.00, 108.45, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.150 |
R-factor | 0.194 |
Rwork | 0.192 |
R-free | 0.24000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3erd |
RMSD bond length | 0.011 |
RMSD bond angle | 1.149 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.230 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.118 | 0.395 |
Number of reflections | 28301 | |
<I/σ(I)> | 4.1 | 1.8 |
Completeness [%] | 98.7 | 95.7 |
Redundancy | 3.7 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 8.0 |