9GFZ

Crystal structure of Medicago Truncatula LYK3 kinase domain D459N

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97
Spacegroup name	P 1
Unit cell lengths	52.980, 59.840, 61.240
Unit cell angles	99.91, 105.75, 119.80

Refinement procedure

Resolution	42.990 - 2.500
R-factor	0.2111
Rwork	0.206
R-free	0.25680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.420
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.990	2.560
High resolution limit [Å]	2.500	2.500
Number of reflections	20193	1443
<I/σ(I)>	9.46	1.11
Completeness [%]	99.8	99.24
Redundancy	6.9	7
CC(1/2)	0.998	0.683

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	292	0.2 M Sodium Formate, 0.1 M Bis-Tris propane pH 8.5, 20% w/v PEG 3350, 6 mM AMP-PNP