9ZZW

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	2019-06-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97910
Spacegroup name	C 1 2 1
Unit cell lengths	108.808, 83.479, 87.743
Unit cell angles	90.00, 121.46, 90.00

Refinement procedure

Resolution	74.850 - 2.760
R-factor	0.2589
Rwork	0.258
R-free	0.28610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.001
RMSD bond angle	0.388
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.860	2.790
High resolution limit [Å]	2.757	2.760
Number of reflections	17191	518
<I/σ(I)>	11.17
Completeness [%]	97.3
Redundancy	3.5
CC(1/2)	0.985	0.369

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	25%PEG 3350, 0.1M (NH4)2SO4, and 0.1M MES pH 6.0