8P5G

Kinase domain of wild type human ULK1 in complex with compound CCT241533

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-05-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9999
Spacegroup name	P 21 21 2
Unit cell lengths	95.800, 111.670, 84.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	67.383 - 2.019
Rwork	0.184
R-free	0.22690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.470
Data reduction software	XDS
Data scaling software	pointless (1.12.12)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0405)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.383	2.054
High resolution limit [Å]	2.019	2.019
Number of reflections	60175	2959
<I/σ(I)>	16.9	2.2
Completeness [%]	100.0	100
Redundancy	11.6	11.4
CC(1/2)	0.999	0.789

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277.15	0.3-0.8 M NaAcetate pH 6, 20-26% w/v PEG3350