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