7M5Z

Crystal Structure of the MerTK Kinase Domain in Complex with Inhibitor MIPS15692

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953731894493
Spacegroup name	P 21 21 21
Unit cell lengths	70.203, 91.272, 100.804
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.122 - 3.060
R-factor	0.2646
Rwork	0.263
R-free	0.29740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ab0
RMSD bond length	0.003
RMSD bond angle	0.705
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.720	3.270
High resolution limit [Å]	3.060	3.060
Rmerge	0.129	0.715
Rmeas	0.141	0.773
Rpim	0.055	0.292
Number of reflections	11670	2255
<I/σ(I)>	9.2	2.8
Completeness [%]	91.4	100
Redundancy	6.5	7
CC(1/2)	0.998	0.911

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	0.1 M Bis-tris Propane pH 7.5, 2.2 M Sodium Chloride, and 0.15 M Magnesium Chloride