5V0L
Crystal structure of the AHR-ARNT heterodimer in complex with the DRE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-06-12 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97857 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 78.199, 64.364, 157.725 |
| Unit cell angles | 90.00, 100.14, 90.00 |
Refinement procedure
| Resolution | 39.685 - 4.000 |
| R-factor | 0.2872 |
| Rwork | 0.285 |
| R-free | 0.32260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4zpk |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.671 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.970 |
| High resolution limit [Å] | 3.900 | 3.900 |
| Rpim | 0.075 | 0.592 |
| Number of reflections | 6690 | 669 |
| <I/σ(I)> | 11 | 1.5 |
| Completeness [%] | 99.5 | 96 |
| Redundancy | 7.9 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 277 | 10%-12% PEG 20000, 4-6% Tacsimate pH 7.0 or 0.1 M Bis-Tris pH 6.5 |
