9CE4
Structure of CHK1 10-pt. mutant complex with LRRK2 indazole inhibitor compound 6
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.896, 65.238, 53.785 |
| Unit cell angles | 90.00, 101.49, 90.00 |
Refinement procedure
| Resolution | 24.900 - 1.310 |
| R-factor | 0.184 |
| Rwork | 0.182 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.040 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.710 | 1.470 |
| High resolution limit [Å] | 1.310 | 1.310 |
| Rmerge | 0.035 | 0.754 |
| Number of reflections | 48251 | 2413 |
| <I/σ(I)> | 15 | 1.4 |
| Completeness [%] | 93.5 | |
| Redundancy | 3.4 | |
| CC(1/2) | 0.999 | 0.590 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 293 | 7% PEG 8000, 16% ethylene glycol, 0.1 M MES (pH 6.5), 5% 6-aminohexanoic acid |
