6Y23

DDR1 kinase autoinhibited by its juxtamembrane region

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9686
Spacegroup name	P 63 2 2
Unit cell lengths	105.307, 105.307, 406.939
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	54.420 - 2.580
R-factor	0.2275
Rwork	0.225
R-free	0.27010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5bvw
RMSD bond length	0.003
RMSD bond angle	0.537
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.18rc1_3769)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.130	2.620
High resolution limit [Å]	2.580	2.580
Rpim	0.128	1.129
Number of reflections	43468	2087
<I/σ(I)>	6.5	1.2
Completeness [%]	100.0	99.1
Redundancy	20.3	20.9
CC(1/2)	0.979	0.443

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	9.5 mg/ml protein in 20 mM HEPES pH 7.5, 200 mM NaCl, 1 mM TCEP. Precipitant: 100 mM Tris pH 8.0, 1.5 M ammonium sulphate.