2YLQ
TARGETING THE BINDING FUNCTION 3 SITE OF THE ANDROGEN RECEPTOR THROUGH IN SILICO MOLECULAR MODELING
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.3 |
| Synchrotron site | ALS |
| Beamline | 5.0.3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.160, 66.470, 73.300 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.240 - 2.400 |
| R-factor | 0.20458 |
| Rwork | 0.201 |
| R-free | 0.27188 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2am9 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.727 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.200 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.090 | 0.400 |
| Number of reflections | 11260 | |
| <I/σ(I)> | 11.1 | 3.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.7 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | pH 7.5 |
