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 |