4LAZ
Crystal structure of human AR complexed with NADP+ and {5-chloro-2-[(4-iodobenzyl)carbamoyl]phenoxy}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 | 49.309, 66.975, 47.336 |
| Unit cell angles | 90.00, 92.34, 90.00 |
Refinement procedure
| Resolution | 27.696 - 0.850 |
| R-factor | 0.1355 |
| Rwork | 0.135 |
| R-free | 0.13890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1us0 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.378 |
| 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 | 0.042 | 0.027 | 0.322 |
| Number of reflections | 256744 | ||
| <I/σ(I)> | 12.9 | ||
| Completeness [%] | 84.4 | 89.4 | 70.1 |
| Redundancy | 1.8 | 1.7 | 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 |
