9GZD
Androgen Receptor ligand-binding domain in complex with 11-ketodihydrotestosterone
This is a non-PDB format compatible entry.
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 | 2023-11-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.103, 66.465, 70.724 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.010 - 1.910 |
| R-factor | 0.19784 |
| Rwork | 0.195 |
| R-free | 0.25761 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.467 |
| 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] | 43.010 | 1.960 |
| High resolution limit [Å] | 1.910 | 1.910 |
| Rmerge | 0.083 | 2.808 |
| Rmeas | 0.091 | 3.102 |
| Rpim | 0.035 | 1.292 |
| Total number of observations | 7226 | |
| Number of reflections | 20360 | 1319 |
| <I/σ(I)> | 9 | 0.5 |
| Completeness [%] | 99.8 | |
| Redundancy | 6.6 | 5.5 |
| CC(1/2) | 0.999 | 0.420 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M HEPES pH 7.8, 0.7 M sodium citrate, 15 mM spermidine |
