3H82
Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains with the artificial ligand THS020
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-12-14 |
| Detector | SBC-2 |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.889, 70.280, 42.348 |
| Unit cell angles | 90.00, 108.68, 90.00 |
Refinement procedure
| Resolution | 26.440 - 1.500 |
| R-factor | 0.1964 |
| Rwork | 0.194 |
| R-free | 0.23388 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3f1n |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.833 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.046 | 0.269 |
| Number of reflections | 34380 | |
| <I/σ(I)> | 21.8 | 2.48 |
| Completeness [%] | 94.6 | 68.8 |
| Redundancy | 3 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 0.1M BisTris, 25% PEG3350, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
