6VG3

Structure of unliganded, inactive PTK7 kinase domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	95.628, 119.918, 166.516
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.660 - 1.950
R-factor	0.192
Rwork	0.189
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1luf
RMSD bond length	0.010
RMSD bond angle	1.040
Data reduction software	XDS (Mar 15, 2019 BUILT=20190315)
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.8.3)
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	135.355	2.050
High resolution limit [Å]	1.950	1.950
Rmerge	0.092	1.024
Rmeas	0.199
Rpim	0.101	0.443
Number of reflections	68916	9835
<I/σ(I)>	5.2	1.9
Completeness [%]	98.7	97.7
Redundancy	8.1	8.1
CC(1/2)	0.999	0.738

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293.15	11 mg/ml protein, 100 mM ADA (pH 6.5), 100 mM (NH4)2SO4, 30% (w/v) PEG monoethyl ether 5000