8P5L
Kinase domain of mutant human ULK1 in complex with compound MRT67307
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 | 2022-11-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | H 3 2 |
Unit cell lengths | 152.600, 152.600, 206.140 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 111.255 - 1.836 |
Rwork | 0.176 |
R-free | 0.21130 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.663 |
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] | 111.255 | 1.867 |
High resolution limit [Å] | 1.836 | 1.836 |
Number of reflections | 79997 | 3987 |
<I/σ(I)> | 20.2 | 2.3 |
Completeness [%] | 99.5 | |
Redundancy | 18.4 | |
CC(1/2) | 1.000 | 0.810 |
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 |