2QTU
Estrogen receptor beta ligand-binding domain complexed to a benzopyran ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MAR CCD 165 mm |
| Spacegroup name | P 61 |
| Unit cell lengths | 63.798, 63.798, 249.616 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.900 - 2.530 |
| Rwork | 0.264 |
| R-free | 0.27900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.100 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | CNX (2005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.900 | 2.670 |
| High resolution limit [Å] | 2.530 | 2.530 |
| Rmerge | 0.074 | 0.582 |
| Number of reflections | 18673 | |
| <I/σ(I)> | 10.3 | 2.2 |
| Completeness [%] | 98.9 | 88.9 |
| Redundancy | 5.3 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 289 | 0.1 M Tris-HCl, 2 M NaCl, 4% PEG 6000, pH 8.0, VAPOR DIFFUSION, temperature 289K |
