7MCK
Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 18
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-10-22 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.980, 65.370, 54.070 |
Unit cell angles | 90.00, 102.32, 90.00 |
Refinement procedure
Resolution | 43.940 - 1.650 |
R-factor | 0.194 |
Rwork | 0.192 |
R-free | 0.22500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5oor |
RMSD bond length | 0.010 |
RMSD bond angle | 0.960 |
Data reduction software | XDS |
Data scaling software | autoPROC |
Phasing software | autoBUSTER |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.950 | 1.800 |
High resolution limit [Å] | 1.650 | 1.660 |
Number of reflections | 28354 | 568 |
<I/σ(I)> | 10 | |
Completeness [%] | 92.6 | |
Redundancy | 3.4 | |
CC(1/2) | 1.000 | 0.550 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 11% PEG 8000, 15-20% ethylene glycol, 0.1 M MES (pH 6.5), 5% 6-aminohexanoic acid |