9HDF
Glucocorticoid Receptor Ligand Binding Domain in complex with dexamethasone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-04-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 264.410, 265.464, 109.671 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 101.570 - 2.780 |
| R-factor | 0.21151 |
| Rwork | 0.211 |
| R-free | 0.24431 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.607 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 101.570 | 2.830 |
| High resolution limit [Å] | 2.780 | 2.780 |
| Rmerge | 0.128 | 1.683 |
| Rpim | 0.054 | 0.803 |
| Number of reflections | 187084 | 8378 |
| <I/σ(I)> | 9.9 | |
| Completeness [%] | 96.8 | |
| Redundancy | 6 | 4.4 |
| CC(1/2) | 0.996 | 0.318 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.085 M sodium cacodylate trihydrate, pH 6.5, 0.17 M ammonium sulfate, 25.5% (w/v) polyethylene glycol 8000 and 15% (v/v) glycerol |
