9GB9

Crystal structure of Lotus japonicus CERK6 kinase domain D460N

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97
Spacegroup name	P 1
Unit cell lengths	59.920, 59.990, 103.740
Unit cell angles	106.46, 97.31, 106.64

Refinement procedure

Resolution	48.450 - 1.850
R-factor	0.2098
Rwork	0.209
R-free	0.24250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.685
Data reduction software	XDS (Jun 30, 2023)
Data scaling software	XSCALE (Jun 30, 2023)
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.450	1.880
High resolution limit [Å]	1.850	1.850
Rmerge	0.127	1.760
Rmeas	0.137	1.904
Rpim	0.051	0.718
Number of reflections	110336	5055
<I/σ(I)>	8.4	1.14
Completeness [%]	99.9	99.33
Redundancy	7	6.9
CC(1/2)	0.995	0.545

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	292.15	0.1 M imidazole pH 8.0, 5% PEG 8000