8QLR
Human MST3 (STK24) kinase in complex with inhibitor MR24
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-09-04 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.468, 93.550, 61.792 |
| Unit cell angles | 90.00, 92.31, 90.00 |
Refinement procedure
| Resolution | 47.700 - 1.850 |
| R-factor | 0.1815 |
| Rwork | 0.180 |
| R-free | 0.21690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.871 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.700 | 1.890 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.037 | 0.717 |
| Rmeas | 0.040 | 0.784 |
| Number of reflections | 52593 | 3231 |
| <I/σ(I)> | 19.5 | 2.1 |
| Completeness [%] | 98.0 | 98.3 |
| Redundancy | 5.9 | 6 |
| CC(1/2) | 1.000 | 0.890 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | Protein solution: 11 mg/mL MST3 in 25 mM HEPES pH 7.5, 200 mM NaCl, 0.5 mM TCEP, 5% glycerol) with 1 mM compound MR24. Reservoir solution: 28% PEG 3350, 0.1 M citrate pH 5.6 |
