7BJU
Crystal structure of the ligand-binding domains of the heterodimer EcR/USP bound to the synthetic agonist BYI08346
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-10-13 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.931 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 147.875, 147.875, 59.776 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.400 - 2.850 |
| R-factor | 0.1849 |
| Rwork | 0.183 |
| R-free | 0.23050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r20 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | PHENIX (dev 3951) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.400 | 2.952 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Rmerge | 0.054 | 0.338 |
| Number of reflections | 17798 | 1738 |
| <I/σ(I)> | 39.8 | 7 |
| Completeness [%] | 99.9 | 99.94 |
| Redundancy | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 297 | 10% PEG 1000, 10% PEG 8000, 0.3M MgCl2, 0.1M HEPES pH 7.5 |
