6BWK
Crystal structure of the human MLKL pseudokinase domain T357E/S358E mutant
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 | 2013-07-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| 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 | 40.257 - 2.790 |
| R-factor | 0.257 |
| Rwork | 0.255 |
| R-free | 0.29720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mwi |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.769 |
| Data reduction software | XDS (Jun 1, 2017) |
| Data scaling software | XDS (Jun 1, 2017) |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.970 |
| High resolution limit [Å] | 2.790 | 2.790 |
| Rmeas | 0.235 | 4.540 |
| Number of reflections | 8516 | 1168 |
| <I/σ(I)> | 8.28 | |
| Completeness [%] | 97.3 | 84.2 |
| Redundancy | 6.8 | 5.2 |
| CC(1/2) | 0.997 | 0.141 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 5% w/v polyethylene glycol 8000, 20% v/v polyethylene glycol 300, 0.1M Tris chloride pH 8.5, 10% v/v glycerol |
