6W9M
Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex with vamorolone and SHP coregulator fragment
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-08-05 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.000000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 87.065, 52.854, 69.646 |
| Unit cell angles | 90.00, 116.39, 90.00 |
Refinement procedure
| Resolution | 38.990 - 1.590 |
| R-factor | 0.1887 |
| Rwork | 0.187 |
| R-free | 0.21970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6nwl |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.906 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | HKL-2000 |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.995 | 1.640 |
| High resolution limit [Å] | 1.586 | 1.586 |
| Number of reflections | 38375 | 3352 |
| <I/σ(I)> | 10.9 | |
| Completeness [%] | 96.6 | |
| Redundancy | 5.5 | |
| CC(1/2) | 0.921 | 0.684 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 289.15 | 25% PEG 300 and 0.1 M Tris pH 8.5 |
