5OPR
Structure of CHK1 10-pt. mutant complex with aminopyridine LRRK2 inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-09-10 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.986, 65.826, 54.237 |
| Unit cell angles | 90.00, 101.82, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.950 |
| R-factor | 0.1657 |
| Rwork | 0.164 |
| R-free | 0.20610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5oop |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.939 |
| Data scaling software | SCALA (3.3.16) |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 41.324 | 41.324 | 1.840 |
| High resolution limit [Å] | 1.780 | 6.890 | 1.780 |
| Rmerge | 0.046 | 0.511 | |
| Rmeas | 0.072 | 0.057 | 0.639 |
| Rpim | 0.041 | 0.032 | 0.377 |
| Number of reflections | 29281 | 535 | 2706 |
| <I/σ(I)> | 10.2 | 10 | 1.5 |
| Completeness [%] | 98.4 | 97.7 | 93.8 |
| Redundancy | 3 | 2.9 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 7% PEG 8000, 0.1 M MES buffer pH 6.5, 20% ethylene glycol |
