8CK3
STRUCTURE OF HIF2A-ARNT HETERODIMER IN COMPLEX WITH (S)-1-(3,5-Difluoro-phenyl)-5,5-difluoro-3-methanesulfonyl-5,6-dihydro-4H-cyclopenta[c]thiophen-4-ol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-12-15 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.99996 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 72.671, 83.594, 40.935 |
Unit cell angles | 90.00, 106.86, 90.00 |
Refinement procedure
Resolution | 53.470 - 1.707 |
R-factor | 0.199 |
Rwork | 0.197 |
R-free | 0.22700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.060 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.8 (8-JUN-2022)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.470 | 1.905 |
High resolution limit [Å] | 1.707 | 1.707 |
Rmeas | 0.072 | |
Rpim | 0.050 | 0.579 |
Number of reflections | 15973 | 799 |
<I/σ(I)> | 11.8 | |
Completeness [%] | 62.7 | |
Redundancy | 3.4 | |
CC(1/2) | 0.999 | 0.512 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 22% PEG 3350, 0.1 M BIS TRIS pH 6.0 |