6YID

Crystal structure of ULK2 in complex with SBI-0206965

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	2018-04-19
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.99986
Spacegroup name	P 1 21 1
Unit cell lengths	75.968, 76.526, 95.244
Unit cell angles	90.00, 97.03, 90.00

Refinement procedure

Resolution	48.550 - 2.700
R-factor	0.1943
Rwork	0.192
R-free	0.23790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6qav
RMSD bond length	0.009
RMSD bond angle	0.984
Data reduction software	XDS
Data scaling software	Aimless (0.7.1)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.550	48.550	2.850
High resolution limit [Å]	2.700	8.540	2.700
Rmerge	0.075	0.032	0.827
Rmeas	0.088	0.035	0.994
Rpim	0.036	0.015	0.391
Number of reflections	29707	963	4314
<I/σ(I)>	13.6
Completeness [%]	99.2	97	99.7
Redundancy	6.1	5.6	6.3
CC(1/2)	0.999	0.999	0.740

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.75	293.15	32.5% PEG 3350, 0.1M sodium citrate, pH 5.9, 0.2M MgCl2, 0.1M bis-tris, pH 5.75