9H0Q

N terminal domain of BC2L-C lectin in complex with N-(beta-L-Fucopyranosyl)-biphenyl-3-carboxamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-07-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97856
Spacegroup name	H 3 2
Unit cell lengths	169.506, 169.506, 344.036
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.932 - 2.550
Rwork	0.179
R-free	0.22190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.889
Data reduction software	XDS
Data scaling software	Aimless (0.7.15)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.932	2.620
High resolution limit [Å]	2.550	2.550
Rmerge	0.091	0.916
Rmeas	0.100	1.000
Rpim	0.041	0.403
Number of reflections	62109	4529
<I/σ(I)>	18.6	2.7
Completeness [%]	100.0
Redundancy	11.6
CC(1/2)	0.999	0.831

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	17% Peg10K, 100 mM sodium acetate and 100 mM Bis-Tris pH 5.5 cryo in 7.6% Peg10K, 22.5% Peg Smear Low, 45 mM sodium acetate and Bis Tris pH 5.5 and 3 mM PMA127