9C61
Crystal structure of the human LRRK2 WDR domain in complex with CACHE1193-26
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-02-11 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 79.162, 103.064, 115.301 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.050 - 2.600 |
R-factor | 0.202 |
Rwork | 0.199 |
R-free | 0.24000 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.010 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | REFMAC |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.640 |
High resolution limit [Å] | 2.600 | 7.050 | 2.600 |
Rmerge | 0.057 | 0.023 | 0.902 |
Rmeas | 0.061 | 0.025 | 0.970 |
Rpim | 0.022 | 0.009 | 0.350 |
Number of reflections | 29052 | 1525 | 1425 |
<I/σ(I)> | 9.7 | ||
Completeness [%] | 96.9 | 92.3 | 97.7 |
Redundancy | 7.5 | 7.2 | 7.4 |
CC(1/2) | 1.000 | 0.999 | 0.795 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 0.1 M Tris-HCl at pH 8.5, 1 M LiCl, 14% (w/v) polyethylene glycol (PEG) 6000 and 10% galactose |