7SUH
Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 15
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-05-28 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.03323 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.800, 65.040, 53.550 |
Unit cell angles | 90.00, 102.08, 90.00 |
Refinement procedure
Resolution | 43.810 - 2.460 |
R-factor | 0.179 |
Rwork | 0.176 |
R-free | 0.24200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7suf |
RMSD bond length | 0.010 |
RMSD bond angle | 1.090 |
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] | 52.364 | 2.503 |
High resolution limit [Å] | 2.460 | 2.460 |
Number of reflections | 10970 | 551 |
<I/σ(I)> | 10.8 | 2.2 |
Completeness [%] | 99.5 | 100 |
Redundancy | 3.9 | 3.8 |
CC(1/2) | 0.996 | 0.785 |
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 |