8P5L

Kinase domain of mutant human ULK1 in complex with compound MRT67307

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	2022-11-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	H 3 2
Unit cell lengths	152.600, 152.600, 206.140
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	111.255 - 1.836
Rwork	0.176
R-free	0.21130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.663
Data reduction software	XDS
Data scaling software	pointless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0405)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	111.255	1.867
High resolution limit [Å]	1.836	1.836
Number of reflections	79997	3987
<I/σ(I)>	20.2	2.3
Completeness [%]	99.5
Redundancy	18.4
CC(1/2)	1.000	0.810

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