8CK4
STRUCTURE OF HIF2A-ARNT HETERODIMER IN COMPLEX WITH (4S)-1-(3,5-difluorophenyl)-5,5-difluoro-3-methanesulfonyl-4,5,6,7-tetrahydro-2-benzothiophen-4-ol
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 | 2018-03-21 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.999990 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 72.287, 83.765, 41.149 |
Unit cell angles | 90.00, 106.59, 90.00 |
Refinement procedure
Resolution | 41.880 - 2.290 |
R-factor | 0.213 |
Rwork | 0.209 |
R-free | 0.25100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.940 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | BUSTER |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.390 | 2.430 |
High resolution limit [Å] | 2.290 | 2.290 |
Rmerge | 0.644 | |
Rmeas | 0.101 | |
Number of reflections | 10254 | 1386 |
<I/σ(I)> | 9.92 | |
Completeness [%] | 96.1 | |
Redundancy | 3.3 | |
CC(1/2) | 0.996 | 0.701 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 17% (w/v) PEG3350 ; 0.1 M BisTris pH 6.25 |