9FMQ

Crystal structure of C. merolae LAMMER-like dual specificity kinase (CmLIK) hairpin mutant kinase domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-08-20
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9762
Spacegroup name	P 21 21 21
Unit cell lengths	64.720, 68.670, 84.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.360 - 1.770
R-factor	0.1939
Rwork	0.192
R-free	0.22980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.115
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	1.880
High resolution limit [Å]	1.770	1.770
Number of reflections	37481	5958
<I/σ(I)>	19.94
Completeness [%]	100.0
Redundancy	13.3
CC(1/2)	1.000	0.544

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.25 M calcium acetate, 14 % (w/v) PEG3350, 20 % (w/v) ethylene glycol