6ZZ1
Crystal structure of MLKL executioner domain in complex with a covalent inhibitor
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 | 2018-09-01 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.999940 |
| Spacegroup name | P 43 |
| Unit cell lengths | 56.709, 56.709, 90.501 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.050 - 1.640 |
| R-factor | 0.1983 |
| Rwork | 0.197 |
| R-free | 0.23110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4btf |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.900 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC (1.1.7) |
| Phasing software | DIMPLE |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.705 | 1.746 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Rmerge | 0.029 | 0.797 |
| Number of reflections | 28984 | 1449 |
| <I/σ(I)> | 24.6 | 1.4 |
| Completeness [%] | 82.8 | 24.3 |
| Redundancy | 6.7 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 32 % Polyethylene glycol monomethyl ether 2,000, 0.15 M Potassium bromide, 0.1 M TRIS, pH 9 |
