4QL8
Crystal structure of Androgen Receptor in complex with the ligand
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.129, 65.476, 68.964 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.620 - 2.100 |
R-factor | 0.24522 |
Rwork | 0.244 |
R-free | 0.27502 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1z95 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.784 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0001) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.048 | 0.134 |
Number of reflections | 14439 | |
<I/σ(I)> | 19.3 | 4.5 |
Completeness [%] | 96.8 | 80.4 |
Redundancy | 3.2 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M HEPES pH (6.5-8.5), 1.5M MgSO4 , VAPOR DIFFUSION, HANGING DROP, temperature 293K |