3H7W
Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains with the artificial ligand THS017
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 | C 1 2 1 |
Unit cell lengths | 73.890, 82.727, 41.158 |
Unit cell angles | 90.00, 106.48, 90.00 |
Refinement procedure
Resolution | 22.710 - 1.650 |
R-factor | 0.19907 |
Rwork | 0.197 |
R-free | 0.23638 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3f1p |
RMSD bond length | 0.013 |
RMSD bond angle | 1.481 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.680 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.063 | 0.519 |
Number of reflections | 28092 | |
<I/σ(I)> | 24.8 | 2.1 |
Completeness [%] | 98.2 | 95.2 |
Redundancy | 4.3 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 0.1M BisTris, 17% PEG3350, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |