7SUI
Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 22
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 18-ID |
Synchrotron site | APS |
Beamline | 18-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-20 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.091, 65.882, 54.923 |
Unit cell angles | 90.00, 102.52, 90.00 |
Refinement procedure
Resolution | 53.617 - 2.119 |
R-factor | 0.198 |
Rwork | 0.195 |
R-free | 0.25250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7suf |
RMSD bond length | 0.008 |
RMSD bond angle | 0.930 |
Data reduction software | XDS |
Data scaling software | autoPROC |
Phasing software | autoBUSTER |
Refinement software | BUSTER (2.11.7 (20-MAY-2020)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.617 | 2.295 |
High resolution limit [Å] | 2.119 | 2.119 |
Number of reflections | 12552 | 2270 |
<I/σ(I)> | 7.2 | 1.4 |
Completeness [%] | 87.8 | |
Redundancy | 3.5 | |
CC(1/2) | 0.998 | 0.668 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 11% PEG 8000, 15-20% ethylene glycol, 0.1 M MES (pH 6.5), 5% 6-aminohexanoic acid |