7BE6

Structure of DDR1 receptor tyrosine kinase in complex with inhibitor SR159

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-06
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.92819
Spacegroup name	P 21 21 2
Unit cell lengths	63.023, 131.967, 43.803
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.984 - 1.871
R-factor	0.188989674436
Rwork	0.187
R-free	0.23044
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fdx
RMSD bond length	0.008
RMSD bond angle	0.882
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.984	1.900
High resolution limit [Å]	1.870	1.870
Number of reflections	31065	1542
<I/σ(I)>	11.8	2.1
Completeness [%]	100.0	99.7
Redundancy	9.9	10.3
CC(1/2)	0.999	0.855

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	20% PEG 3350, 10% ethylene glycol, 0.1 M BisTrisPropane pH 6.5, 0.2 M sodium sulfate (50 nL protein and 100 nL reservoir)