7FEH

Crystal structure of human DDR1 in complex with CH5541127

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2010-07-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	40.390, 61.700, 63.110
Unit cell angles	90.00, 106.22, 90.00

Refinement procedure

Resolution	38.780 - 1.610
R-factor	0.1676
Rwork	0.166
R-free	0.20570
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	xia2 (0.3.1.6)
Data scaling software	SCALA (3.3.16)
Phasing software	REFMAC
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.782	38.782	1.660
High resolution limit [Å]	1.610	7.220	1.610
Rmerge		0.032	0.400
Rmeas	0.062	0.038	0.476
Rpim	0.033	0.020	0.255
Number of reflections	38162	454	2790
<I/σ(I)>	13.7	16.8	1.8
Completeness [%]	99.5	98.9	100
Redundancy	3.4	3.5	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	285	10 mg/mL protein, 1 mM Ligand, 2 %(v/v) DMSO, 21.0 %(w/v) PEG 2000 MME, 0.25 M NaNO3, 0.1 M BIS-TRIS propane (pH 6.6), 5.0 %(v/v) PEG 400