6W9L
Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex with deacetylated deflazacort 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 | 2019-03-05 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.000000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 71.691, 96.536, 107.460 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.000 - 1.450 |
| R-factor | 0.1748 |
| Rwork | 0.174 |
| R-free | 0.20020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6nwl |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.194 |
| 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] | 34.004 | 1.500 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Number of reflections | 66358 | 6507 |
| <I/σ(I)> | 10.7 | |
| Completeness [%] | 99.7 | |
| Redundancy | 12 | |
| CC(1/2) | 0.971 | 0.571 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289.15 | 0.2 M ammonium acetate, 2.5 M sodium formate, and 0.1 M Tris pH 8.5 |
