7SUF

Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 06

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	44.810, 65.950, 57.990
Unit cell angles	90.00, 94.12, 90.00

Refinement procedure

Resolution	57.840 - 1.480
R-factor	0.2187
Rwork	0.217
R-free	0.25380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5oor
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	REFMAC
Refinement software	BUSTER

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.900	1.610
High resolution limit [Å]	1.480	1.483
Number of reflections	32368	1619
<I/σ(I)>	9.4
Completeness [%]	80.5
Redundancy	2.9
CC(1/2)	0.987	0.544

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