2QE4
Estrogen receptor alpha ligand-binding domain in complex with a benzopyran agonist
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 | 2003-07-10 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.00000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 103.915, 54.091, 84.169 |
| Unit cell angles | 90.00, 91.24, 90.00 |
Refinement procedure
| Resolution | 47.980 - 2.400 |
| R-factor | 0.241 |
| Rwork | 0.241 |
| R-free | 0.27900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | CNX (2005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.980 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.063 | 0.301 |
| Number of reflections | 17217 | |
| <I/σ(I)> | 16.2 | 2.55 |
| Completeness [%] | 93.5 | 80.8 |
| Redundancy | 2.7 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | 100 mM MES pH 6.8, 0.5 M MgCl2, 15% w/v PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
