8P5K
Kinase domain of mutant human ULK1 in complex with compound MRT68921
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 11.2C |
| Synchrotron site | ELETTRA |
| Beamline | 11.2C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-05-05 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 85.260, 109.940, 96.220 |
| Unit cell angles | 90.00, 93.78, 90.00 |
Refinement procedure
| Resolution | 85.075 - 2.209 |
| Rwork | 0.177 |
| R-free | 0.20430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.427 |
| Data reduction software | XDS |
| Data scaling software | pointless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 85.075 | 2.247 |
| High resolution limit [Å] | 2.209 | 2.209 |
| Number of reflections | 88463 | 4401 |
| <I/σ(I)> | 16.6 | 2.1 |
| Completeness [%] | 99.7 | 99.2 |
| Redundancy | 6.6 | |
| CC(1/2) | 0.999 | 0.714 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277.15 | 0.3-0.8 M NaAcetate pH 6, 20-26% w/v PEG3350 |
