7SUJ

Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 24

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 18-ID
Synchrotron site	APS
Beamline	18-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-23
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	44.991, 66.002, 109.812
Unit cell angles	90.00, 101.36, 90.00

Refinement procedure

Resolution	56.270 - 2.299
R-factor	0.2357
Rwork	0.233
R-free	0.29730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7suf
RMSD bond length	0.008
RMSD bond angle	0.930
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	autoBUSTER
Refinement software	BUSTER (2.11.7 (20-MAY-2020))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.270	2.338
High resolution limit [Å]	2.299	2.299
Number of reflections	27329	1407
<I/σ(I)>	9.3	2.3
Completeness [%]	96.6
Redundancy	3.5
CC(1/2)	0.998	0.915

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	11% PEG 8000, 15-20% ethylene glycol, 0.1 M MES (pH 6.5), 5% 6-aminohexanoic acid