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