9YSQ
Structure of a human NUAK1-MARK3 kinase domain chimera in complex with inhibitor
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-10-03 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.481, 94.841, 68.926 |
| Unit cell angles | 90.00, 92.44, 90.00 |
Refinement procedure
| Resolution | 23.050 - 2.400 |
| R-factor | 0.1981 |
| Rwork | 0.195 |
| R-free | 0.24790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.523 |
| Data reduction software | CrysalisPro |
| Data scaling software | CrysalisPro |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.050 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.080 | |
| Rmeas | 0.092 | |
| Rpim | 0.044 | |
| Number of reflections | 25920 | 2874 |
| <I/σ(I)> | 14.49 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.1 | 4.2 |
| CC(1/2) | 0.996 | 0.952 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.1M HEPES pH 7.0, 0.2M magnesium formate, 17% PEG3350 |
