4K7A
Crystal structure of the androgen receptor ligand binding domain in complex with minoxidil
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13C1 |
Synchrotron site | NSRRC |
Beamline | BL13C1 |
Temperature [K] | 123 |
Detector technology | CCD |
Collection date | 2011-11-23 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.429, 65.541, 70.384 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.440 |
R-factor | 0.19181 |
Rwork | 0.188 |
R-free | 0.26788 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1t7t |
RMSD bond length | 0.012 |
RMSD bond angle | 1.649 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.540 |
High resolution limit [Å] | 2.440 | 2.440 |
Rmerge | 0.108 | 0.680 |
Number of reflections | 10075 | |
<I/σ(I)> | 3.32 | |
Completeness [%] | 96.1 | |
Redundancy | 10.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |