2ZKC
Crystal structure of human estrogen-related receptor gamma ligand binding domain complex with bisphenol Z
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 | 63.839, 63.839, 135.894 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.070 - 1.700 |
| R-factor | 0.1992 |
| Rwork | 0.197 |
| R-free | 0.23362 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2e2r |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.368 |
| 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] | 31.930 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.070 | 0.473 |
| Total number of observations | 446985 | |
| Number of reflections | 31736 | |
| <I/σ(I)> | 48.6 | 3.4 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.5 | 7.1 |
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 |
