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 |
