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 |