9H3B

Lotus japonicus CERK6 extracellular domain in complex with chitopentaose

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	2023-02-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97
Spacegroup name	P 61 2 2
Unit cell lengths	60.137, 60.137, 390.422
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.680 - 2.580
R-factor	0.2514
Rwork	0.250
R-free	0.26940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.952
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.680	2.914
High resolution limit [Å]	2.580	2.580
Rmerge	0.129	6.308
Rmeas	0.132	6.450
Rpim	0.029	1.317
Number of reflections	5787	289
<I/σ(I)>	13.4
Completeness [%]	40.6
Redundancy	22
CC(1/2)	0.999	0.434

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	292.15	0.2M Potassium sodium tartrate tetrahydrate 0.1M Bis-Tris propane pH 6.5 18% PEG-3350