5CI7

Structure of ULK1 bound to a selective inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-03-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.99997
Spacegroup name	P 42 21 2
Unit cell lengths	66.860, 66.860, 116.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.813 - 1.740
R-factor	0.1707
Rwork	0.169
R-free	0.20690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wno
RMSD bond length	0.007
RMSD bond angle	1.094
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall
Low resolution limit [Å]	47.280
High resolution limit [Å]	1.740
Number of reflections	26564
<I/σ(I)>	7.5
Completeness [%]	96.4
Redundancy	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	1.55 M sodium malonate pH 7.0, 0.35 M sodium malonate pH 5.0