1XQ3
Crystal structure of the human androgen receptor ligand binding domain bound with R1881
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2003-11-11 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.884, 65.836, 72.630 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.250 |
Rwork | 0.215 |
R-free | 0.24200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1XOW.pdb |
RMSD bond length | 0.007 |
RMSD bond angle | 1.100 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNX (2000) |
Refinement software | CNX (2000) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.330 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.057 | 0.371 |
Number of reflections | 13364 | |
<I/σ(I)> | 326.8 | 2.7 |
Completeness [%] | 99.4 | 95.4 |
Redundancy | 6.8 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 100mM BTP, 0.6-1.2M LiSO4, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |