2Z4B
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 |
| Collection date | 2005-08-24 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97943 |
| Spacegroup name | P 61 |
| Unit cell lengths | 63.523, 63.523, 250.837 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.760 - 2.340 |
| Rwork | 0.232 |
| R-free | 0.25300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.000 |
| 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] | 33.280 | 2.480 |
| High resolution limit [Å] | 2.340 | 2.340 |
| Rmerge | 0.117 | 0.593 |
| Number of reflections | 23820 | |
| <I/σ(I)> | 4.3 | 1.2 |
| Completeness [%] | 99.2 | 100 |
| Redundancy | 5.2 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 289 | 0.1M Tris, pH 8.0, 2M sodium chloride, 4% PEG 6000, VAPOR DIFFUSION, temperature 289.0K |
