8P04

Crystal structure of human CLK1 in complex with Leucettinib-92

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.99999
Spacegroup name	C 1 2 1
Unit cell lengths	92.134, 64.026, 70.571
Unit cell angles	90.00, 118.49, 90.00

Refinement procedure

Resolution	46.300 - 2.600
R-factor	0.2125
Rwork	0.209
R-free	0.25880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond angle	5.753
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.300	2.720
High resolution limit [Å]	2.600	2.600
Number of reflections	10715	1355
<I/σ(I)>	9
Completeness [%]	95.6
Redundancy	2.4
CC(1/2)	0.989	0.594

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	25% PEG3350, 0.2 Sodium Malonate pH7