6I61
Crystal structure of human ERRg LBD in complex with bisphenol-B
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-02-19 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.967700 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 64.030, 64.030, 135.430 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.638 - 1.650 |
| R-factor | 0.1868 |
| Rwork | 0.185 |
| R-free | 0.21910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zbs |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.806 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.940 | 1.690 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmeas | 0.092 | 0.620 |
| Number of reflections | 34719 | 2510 |
| <I/σ(I)> | 13.7 | 3.5 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 8.9 | 9.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 293 | 0-100 mM Sodium Acetate 100 mM Tris 23-26% PEG 8000 |
