7MON
Structure of human RIPK3-MLKL complex
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 | 2021-02-11 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.495, 82.839, 104.842 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.420 - 2.230 |
| R-factor | 0.2125 |
| Rwork | 0.209 |
| R-free | 0.26010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7jxu 4m69 |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.519 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.18.2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.780 | 45.780 | 2.300 |
| High resolution limit [Å] | 2.230 | 8.910 | 2.230 |
| Rmerge | 0.144 | 0.036 | 1.346 |
| Rmeas | 0.156 | 0.039 | 1.459 |
| Rpim | 0.060 | 0.015 | 0.555 |
| Total number of observations | 186701 | 2993 | 16012 |
| Number of reflections | 28056 | 511 | 2429 |
| <I/σ(I)> | 8.3 | 32.9 | 1.1 |
| Completeness [%] | 99.4 | 98 | 94.9 |
| Redundancy | 6.7 | 5.9 | 6.6 |
| CC(1/2) | 0.997 | 0.999 | 0.616 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 281.15 | 0.2 M ammonium acetate 30%w/v PEG 4000 0.1 M trisodium citrate-citric acid pH 5.5 |
