2JJ3
Estrogen receptor beta ligand binding domain in complex with a Benzopyran agonist
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 | 2005-06-08 |
| Detector | MARRESEARCH |
| Spacegroup name | P 61 |
| Unit cell lengths | 63.409, 63.409, 248.907 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.100 - 2.280 |
| Rwork | 0.235 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.200 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | CNX (2002) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.100 | 2.400 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rmerge | 0.090 | 0.770 |
| Number of reflections | 25114 | |
| <I/σ(I)> | 9.9 | 2.2 |
| Completeness [%] | 97.7 | 97.7 |
| Redundancy | 5.7 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 2M NACL, 9% PEG 6,000, 100MM TRIS PH 8.0 |
