8R8A

Structure of the N-terminal domain of CMA in complex with N-acetyllactosamine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97856
Spacegroup name	I 1 2 1
Unit cell lengths	36.696, 36.782, 94.786
Unit cell angles	90.00, 99.24, 90.00

Refinement procedure

Resolution	46.778 - 1.317
Rwork	0.143
R-free	0.18580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.721
Data reduction software	XDS
Data scaling software	Aimless (0.7.13)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.780	1.340
High resolution limit [Å]	1.317	1.320
Rmerge	0.055	0.369
Rmeas	0.059	0.400
Rpim	0.022	0.153
Number of reflections	29695	1434
<I/σ(I)>	25.2	5.7
Completeness [%]	99.8
Redundancy	13.5
CC(1/2)	0.999	0.969

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	10% Peg Smear Medium, 0.1 M Mes pH 6.5, and 5 mM of CaCl2, MgCl2, CsCl2, CdCl2, NiCl2 and Zinc acetate transfered in 30% Peg Smear Medium 5mM CdCl2 for cryoprotection