4LAU
Crystal structure of human AR complexed with NADP+ and {2-[(4-bromobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-11-30 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.70849 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.328, 67.047, 47.347 |
Unit cell angles | 90.00, 92.40, 90.00 |
Refinement procedure
Resolution | 15.869 - 0.843 |
R-factor | 0.1381 |
Rwork | 0.138 |
R-free | 0.14210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1us0 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.369 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 0.870 |
High resolution limit [Å] | 0.840 | 1.810 | 0.840 |
Rmerge | 0.027 | 0.017 | 0.286 |
Number of reflections | 269672 | ||
<I/σ(I)> | 19.8 | ||
Completeness [%] | 83.9 | 85.2 | 69.2 |
Redundancy | 1.8 | 1.6 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 277 | 50 mM ammonium citrate, 20% PEG 6000, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |