8BZJ
Human MST3 (STK24) kinase in complex with inhibitor MRLW5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-05-14 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 |
Unit cell lengths | 55.049, 57.737, 61.771 |
Unit cell angles | 88.86, 89.17, 62.12 |
Refinement procedure
Resolution | 39.050 - 2.520 |
R-factor | 0.185132147906 |
Rwork | 0.182 |
R-free | 0.25031 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.962 |
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] | 48.660 | 2.620 |
High resolution limit [Å] | 2.520 | 2.520 |
Rmeas | 0.063 | 0.628 |
Number of reflections | 22207 | 2545 |
<I/σ(I)> | 10 | 1.6 |
Completeness [%] | 97.8 | 97.8 |
Redundancy | 3.4 | 3.5 |
CC(1/2) | 0.999 | 0.779 |
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 inhibitor). Crystallization buffer: 12% PEG 6000, 0.1 M HEPES pH 7.4. |