7AYM

Structure of DDR2 Kinase domain in complex with IBZ3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-01-25
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.980119
Spacegroup name	P 21 21 21
Unit cell lengths	41.750, 85.355, 89.541
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.780 - 2.120
R-factor	0.239
Rwork	0.236
R-free	0.28900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bkj
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.780	2.436
High resolution limit [Å]	2.090	2.090
Number of reflections	9068	453
<I/σ(I)>	6
Completeness [%]	88.6
Redundancy	6.5
CC(1/2)	0.988	0.772

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.2 M tri-sodium citrate, 0.1 M Tris pH 8.5