2AX7
Crystal Structure Of The Androgen Receptor Ligand Binding Domain T877A Mutant In Complex With S-1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 95 |
Detector technology | IMAGE PLATE |
Collection date | 2005-01-05 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.818, 66.371, 69.076 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.640 - 1.900 |
R-factor | 0.206 |
Rwork | 0.206 |
R-free | 0.24700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1Z95 (W741L AR LBD-R-bicalutamide complex) |
RMSD bond length | 0.005 |
RMSD bond angle | 1.100 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.600 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.115 | 0.503 |
Number of reflections | 19962 | |
Completeness [%] | 97.3 | 80.8 |
Redundancy | 13.48 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.5 M Sodium Citrate, 0.1 M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |