9D20

Crystal structure of DLK1 in complex with ACVR2B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97951
Spacegroup name	C 1 2 1
Unit cell lengths	120.980, 52.970, 97.990
Unit cell angles	90.00, 118.99, 90.00

Refinement procedure

Resolution	35.888 - 2.673
R-factor	0.2139
Rwork	0.212
R-free	0.24160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.786
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.890	35.890	2.770
High resolution limit [Å]	2.670	5.750	2.670
Rmerge	0.050	0.029	0.652
Rmeas	0.059	0.035	0.769
Number of reflections	15578	1618	1550
<I/σ(I)>	14.2
Completeness [%]	99.7
Redundancy	3.4
CC(1/2)	0.999	0.999	0.860

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.6	293	2.1 M (NH4)2SO4, 0.1 M HEPES PH 7.6 and 2.5% polyethylene glycol (PEG) 400