4MWI
Crystal structure of the human MLKL pseudokinase domain
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 | CCD |
| Collection date | 2013-04-09 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 72.114, 74.723, 127.601 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.680 - 1.700 |
| R-factor | 0.166 |
| Rwork | 0.165 |
| R-free | 0.19400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4btf |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.969 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.800 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.057 | 0.884 |
| Number of reflections | 38267 | |
| <I/σ(I)> | 21.87 | 1.94 |
| Completeness [%] | 98.9 | 99.7 |
| Redundancy | 7.04 | 5.74 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 25% w/v pentaerythitol propoxylate, 0.1M Tris chloride, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
