3B68
Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 93 |
Detector technology | IMAGE PLATE |
Collection date | 2005-02-24 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.725, 66.575, 68.644 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.750 - 1.900 |
R-factor | 0.234 |
Rwork | 0.234 |
R-free | 0.27400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2axa |
RMSD bond length | 0.007 |
RMSD bond angle | 1.100 |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 23.750 |
High resolution limit [Å] | 1.900 |
Rmerge | 0.159 |
Number of reflections | 20381 |
<I/σ(I)> | 6.6 |
Completeness [%] | 100.0 |
Redundancy | 7.03 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.5 M Sodium Citrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |