2R6W
Estrogen receptor alpha ligand-binding domain complexed to a SERM
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 | 2002-06-29 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.00 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 56.470, 102.761, 172.952 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.270 - 2.000 |
R-factor | 0.21222 |
Rwork | 0.208 |
R-free | 0.25734 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1err |
RMSD bond length | 0.017 |
RMSD bond angle | 1.579 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 22.270 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.048 | 0.219 |
Number of reflections | 29199 | |
<I/σ(I)> | 17 | 4 |
Completeness [%] | 92.2 | 58.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.8 | 298 | 100 mM MES pH 6.8, 0.5 M MgCl2, 15% w/v PEG 4000, VAPOR DIFFUSION, temperature 298K |