9FMP

Crystal structure of phosphorylated C. merolae LAMMER-like dual specificity kinase (CmLIK) kinase domain in complex with adenosine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-25
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	71.126, 100.892, 109.681
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.180 - 2.690
R-factor	0.2064
Rwork	0.203
R-free	0.26780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.566
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.850
High resolution limit [Å]	2.690	2.690
Number of reflections	22375	3593
<I/σ(I)>	5.24	1.06
Completeness [%]	99.2
Redundancy	13.2
CC(1/2)	0.976	0.476

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M Tris pH 8.0, 20 % (v/v) ethanol, 30 % (w/v) ethylene glycol