9LGV
Crystal structure of human PKMYT1 protein kinase domain with Naphthyridinone Inhibitor compound 11
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 | 2022-09-30 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.570, 110.680, 72.080 |
| Unit cell angles | 90.00, 109.34, 90.00 |
Refinement procedure
| Resolution | 43.080 - 2.041 |
| R-factor | 0.1939 |
| Rwork | 0.192 |
| R-free | 0.23390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.645 |
| 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] | 43.083 | 2.200 |
| High resolution limit [Å] | 2.040 | 2.041 |
| Rmerge | 0.058 | 1.017 |
| Rmeas | 0.066 | 1.000 |
| Rpim | 0.031 | 0.542 |
| Number of reflections | 38260 | 1914 |
| <I/σ(I)> | 13.1 | |
| Completeness [%] | 82.1 | |
| Redundancy | 4.6 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 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 |
