9LID
Crystal structure of human PKMYT1 protein kinase domain with Naphthyridinone Inhibitor compound 27
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-04-26 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.484, 112.359, 72.390 |
| Unit cell angles | 90.00, 110.33, 90.00 |
Refinement procedure
| Resolution | 32.300 - 2.060 |
| R-factor | 0.2046 |
| Rwork | 0.203 |
| R-free | 0.23070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.637 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.21.2_5419: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.027 | 2.117 |
| High resolution limit [Å] | 2.060 | 2.060 |
| Rmerge | 0.059 | 0.798 |
| Rmeas | 0.076 | 0.941 |
| Rpim | 0.038 | 0.496 |
| Number of reflections | 28634 | 264 |
| <I/σ(I)> | 10 | |
| Completeness [%] | 99.0 | 59.5 |
| Redundancy | 3.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 6.9 MG/ML MYT1, 25 mM HEPES, 100 MM SODIUM CHLORIDE, 0.5 mM DTT, 0.1 M CALCIUM CHLORIDE, 0.05 M TRIS pH 8.5, 10 % PEG 4000 |
