2ZAS
Crystal structure of human estrogen-related receptor gamma ligand binding domain complex with 4-alpha-cumylphenol, a bisphenol A derivative
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 64.018, 64.018, 136.197 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.800 - 2.000 |
| R-factor | 0.21226 |
| Rwork | 0.211 |
| R-free | 0.23676 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2e2r |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.145 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.800 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.123 | 0.705 |
| Number of reflections | 19919 | |
| <I/σ(I)> | 15 | 1.4 |
| Completeness [%] | 99.4 | 99.5 |
| Redundancy | 6.6 | 6.3 |
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 293.0K |
