2PNU
Crystal structure of human androgen receptor ligand-binding domain in complex with EM-5744
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-11-28 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979469 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.650, 66.360, 70.780 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.940 - 1.650 |
| R-factor | 0.183 |
| Rwork | 0.183 |
| R-free | 0.20500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ama |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.200 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.940 | 1.700 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.059 | 0.035 |
| Number of reflections | 30851 | |
| <I/σ(I)> | 25.97 | 5 |
| Completeness [%] | 98.7 | 96.9 |
| Redundancy | 8.7 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 0.1M MES pH 6, 0.8M Na/K tartrate, 0.45M MgSO4, 0.4M NDSB195, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
