8E81
Structure of LRRK2-CHK1 10-pt. mutant complex with heteroaryl-1H-indazole LRRK2 inhibitor 25
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.040, 65.950, 55.230 |
| Unit cell angles | 90.00, 100.39, 90.00 |
Refinement procedure
| Resolution | 41.930 - 1.620 |
| R-factor | 0.202 |
| Rwork | 0.200 |
| R-free | 0.23200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5oor |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.950 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | REFMAC |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.320 | 1.760 |
| High resolution limit [Å] | 1.620 | 1.620 |
| Number of reflections | 25476 | 1274 |
| <I/σ(I)> | 10.2 | |
| Completeness [%] | 86.4 | |
| Redundancy | 4.2 | |
| CC(1/2) | 0.998 | 0.520 |
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 |
