9H3A

Crystal structure of Lotus japonicus CHIP13 extracellular domain in complex with chitooctaose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-17
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.97
Spacegroup name	C 1 2 1
Unit cell lengths	80.750, 45.550, 75.560
Unit cell angles	90.00, 102.26, 90.00

Refinement procedure

Resolution	39.450 - 1.350
R-factor	0.1546
Rwork	0.153
R-free	0.19130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.565
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.450	1.390
High resolution limit [Å]	1.350	1.350
Rmeas	0.062	8.770
Number of reflections	110107	4354
<I/σ(I)>	15.04	0.32
Completeness [%]	95.2
Redundancy	3.6
CC(1/2)	0.998	0.510

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		292.15	0.2M Ammonium chloride 20% w/vPEG 3350 1 mM octa-N-acetyl-chitooctaose