6NWK
Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex with dexamethasone 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 | 71.787, 96.407, 107.903 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.369 - 1.650 |
| R-factor | 0.187 |
| Rwork | 0.186 |
| R-free | 0.21220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gn8 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.041 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.710 |
| High resolution limit [Å] | 1.650 | 3.550 | 1.650 |
| Rmerge | 0.223 | 0.236 | 1.048 |
| Rmeas | 0.233 | 0.247 | 1.146 |
| Rpim | 0.068 | 0.072 | 0.445 |
| Total number of observations | 476604 | ||
| Number of reflections | 45132 | 4771 | 4130 |
| <I/σ(I)> | 9.8 | ||
| Completeness [%] | 98.6 | 99.6 | 91.4 |
| Redundancy | 10.6 | 11.9 | 5.9 |
| CC(1/2) | 0.961 | 0.558 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289.15 | 0.3 M sodium chloride, 2.6 M sodium formate and 0.1 M PIPES pH 7.0 |
