2E2R
Crystal structure of human estrogen-related receptor gamma ligand binding domain complex with bisphenol A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-07-18 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 64.046, 64.046, 136.871 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.060 - 1.600 |
| R-factor | 0.17071 |
| Rwork | 0.169 |
| R-free | 0.19666 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1s9q |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.333 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.060 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.058 | 0.349 |
| Number of reflections | 36414 | |
| <I/σ(I)> | 40.4 | 8.2 |
| Completeness [%] | 99.6 | 99.2 |
| Redundancy | 11.9 | 11.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.05M HEPES, 0.75M sodium citrate, 5% glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
