6C9D

Crystal structure of KA1-autoinhibited MARK1 kinase

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	2017-04-24
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	169.993, 69.578, 103.999
Unit cell angles	90.00, 124.30, 90.00

Refinement procedure

Resolution	45.352 - 2.499
R-factor	0.2061
Rwork	0.203
R-free	0.25140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 3OSE & 2HAK
RMSD bond length	0.009
RMSD bond angle	1.263
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.540
High resolution limit [Å]	2.499	2.499
Rmerge	0.064	0.317
Number of reflections	34570	1660
<I/σ(I)>	24
Completeness [%]	98.9	94.5
Redundancy	3.3	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	6-8% PEG8000, 0.2-0.3 M imidazole, pH 8.0-8.5