7SUG

Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 09

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-16
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)	7suf
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	REFMAC
Refinement software	BUSTER

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.840	1.501
High resolution limit [Å]	1.303	1.303
Number of reflections	42916	2146
<I/σ(I)>	9
Completeness [%]	92.6
Redundancy	3.3
CC(1/2)	0.998	0.724

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