5JJM
Crystal Structure of Homodimeric Androgen Receptor Ligand-Binding Domain bound to DHT and LxxLL peptide
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 | 2015-07-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97934 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 91.090, 91.010, 157.230 |
| Unit cell angles | 90.00, 90.07, 90.00 |
Refinement procedure
| Resolution | 157.230 - 2.150 |
| R-factor | 0.2032 |
| Rwork | 0.201 |
| R-free | 0.24312 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t7t |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.488 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.610 | 2.270 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.073 | 0.456 |
| Number of reflections | 69531 | |
| <I/σ(I)> | 8.9 | 2.5 |
| Completeness [%] | 99.6 | 99.2 |
| Redundancy | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1 M HEPES 1.35 M ammonium sulfate |
