8BRO

Structure of the N-terminal domain of BC2L-C lectin (1-131) in complex with a synthetic beta-fucosylamide

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	2022-09-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97856
Spacegroup name	P 63
Unit cell lengths	43.008, 43.008, 94.217
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.246 - 1.550
Rwork	0.142
R-free	0.16870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.821
Data reduction software	XDS
Data scaling software	Aimless (0.7.9)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.250	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.064	0.447
Rmeas	0.076	0.540
Rpim	0.040	0.297
Number of reflections	14192	716
<I/σ(I)>	17.8	3.5
Completeness [%]	99.1	99.7
Redundancy	5.6	4.6
CC(1/2)	0.100	0.888

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	292	1.2M Tri sodium citrate ph 7.0