4QXI
Crystal structure of human AR complexed with NADP+ and AK198
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-04-03 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.800 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.403, 66.542, 47.311 |
| Unit cell angles | 90.00, 92.34, 90.00 |
Refinement procedure
| Resolution | 27.589 - 0.867 |
| R-factor | 0.1341 |
| Rwork | 0.134 |
| R-free | 0.14480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1us0 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.317 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | PHENIX ((phenix.refine: dev_1624)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 0.900 |
| High resolution limit [Å] | 0.867 | 1.870 | 0.870 |
| Rmerge | 0.040 | 0.032 | 0.356 |
| Number of reflections | 219664 | ||
| <I/σ(I)> | 26.2 | ||
| Completeness [%] | 87.4 | 89.2 | 72.5 |
| Redundancy | 4.6 | 5.9 | 3 |
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 |
