3B67
Crystal structure of the androgen receptor ligand binding domain in complex with SARM C-23
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 93 |
Detector technology | IMAGE PLATE |
Collection date | 2005-02-20 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.865, 66.201, 69.741 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.900 - 1.900 |
R-factor | 0.226 |
Rwork | 0.226 |
R-free | 0.27300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2axa |
RMSD bond length | 0.006 |
RMSD bond angle | 1.100 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 29.900 |
High resolution limit [Å] | 1.900 |
Rmerge | 0.141 |
Number of reflections | 20501 |
<I/σ(I)> | 9.2 |
Completeness [%] | 99.3 |
Redundancy | 6.93 |
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 |