2YLP
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 | 56.710, 66.480, 73.490 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.300 - 2.300 |
R-factor | 0.19747 |
Rwork | 0.195 |
R-free | 0.24944 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2am9 |
RMSD bond length | 0.019 |
RMSD bond angle | 1.714 |
Data reduction software | MOSFLM |
Data scaling software | MOSFLM |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.300 | 2.420 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.080 | 0.450 |
Number of reflections | 12422 | |
<I/σ(I)> | 10.1 | 3.1 |
Completeness [%] | 97.3 | 97.4 |
Redundancy | 5.5 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | pH 7.5 |