6I63
Crystal structure of human ERRg LBD in complex with bisphenol-A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2016-12-02 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.549 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 64.634, 64.634, 140.130 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.667 - 2.229 |
| R-factor | 0.1598 |
| Rwork | 0.157 |
| R-free | 0.20620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zbs |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.973 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.670 | 2.340 |
| High resolution limit [Å] | 2.220 | 2.220 |
| Rmeas | 0.149 | 0.563 |
| Number of reflections | 15038 | 1814 |
| <I/σ(I)> | 8.7 | 3.3 |
| Completeness [%] | 97.2 | 82.6 |
| Redundancy | 4.5 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 293 | 0-100 mM Sodium Acetate 100 mM Tris 23-26% PEG8000 |
