9YR9

Structure of human MARK3 in complex with inhibitor

This is a non-PDB format compatible entry.

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	2019-03-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	C 1 2 1
Unit cell lengths	107.430, 83.520, 91.160
Unit cell angles	90.00, 121.62, 90.00

Refinement procedure

Resolution	61.680 - 2.402
R-factor	0.2093
Rwork	0.207
R-free	0.25280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.427
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.680	2.500
High resolution limit [Å]	2.402	2.402
Rmerge	0.108	1.087
Rmeas	0.128	1.286
Rpim	0.068	0.680
Number of reflections	25604	2839
<I/σ(I)>	9.68	1.46
Completeness [%]	95.2	95.62
Redundancy	3.5	3.4
CC(1/2)	0.997	0.494

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.1M HEPES pH 7.0, 0.1M ammonium sulphate, 25% PEG3350