7MX3
Crystal structure of human RIPK3 complexed with GSK'843
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-03-25 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.95373 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 104.823, 104.823, 126.677 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 74.120 - 3.230 |
R-factor | 0.2441 |
Rwork | 0.239 |
R-free | 0.28550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | hRIPK3 from hRIPK3:hMLKL complex structure |
RMSD bond length | 0.003 |
RMSD bond angle | 0.735 |
Data reduction software | DIALS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 80.759 | 3.697 |
High resolution limit [Å] | 3.229 | 3.229 |
Rmerge | 0.259 | 1.031 |
Rmeas | 0.283 | 1.142 |
Rpim | 0.113 | 0.484 |
Number of reflections | 10790 | 540 |
<I/σ(I)> | 3.4 | 1.5 |
Completeness [%] | 90.7 | 56.9 |
Redundancy | 6.3 | |
CC(1/2) | 0.979 | 0.451 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 281.15 | 0.2 M magnesium chloride, 25% (w/v) polyethylene glycol 3350, 0.1 M Tris pH 8.5 |