8QLT
Human MST3 (STK24) kinase in complex with inhibitor MR30
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 | 43.547, 58.560, 61.173 |
| Unit cell angles | 90.00, 107.27, 90.00 |
Refinement procedure
| Resolution | 41.580 - 1.470 |
| R-factor | 0.1528 |
| Rwork | 0.151 |
| R-free | 0.17640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.845 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.580 | 1.500 |
| High resolution limit [Å] | 1.470 | 1.470 |
| Rmerge | 0.030 | 0.725 |
| Number of reflections | 49300 | 2453 |
| <I/σ(I)> | 21.8 | 2.2 |
| Completeness [%] | 98.6 | 98.9 |
| Redundancy | 5.1 | 5.2 |
| CC(1/2) | 1.000 | 0.811 |
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 MR30. Reservoir solution: 24% PEG 3350, 0.1M citrate pH 5.2 |
