6W9K
Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex with Prednisolone and PGC1a 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 | 2018-07-17 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 71.052, 96.089, 108.025 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.250 - 1.600 |
| R-factor | 0.1791 |
| Rwork | 0.178 |
| R-free | 0.19190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gn8 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.868 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.250 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 48001 | 4531 |
| <I/σ(I)> | 13.3 | |
| Completeness [%] | 98.7 | |
| Redundancy | 12 | |
| CC(1/2) | 0.952 | 0.765 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289.15 | 0.2 M ammonium acetate, 3.0 M sodium formate, and 0.1 M HEPES 8.0 |
