2N7B

Solution structure of the human Siglec-8 lectin domain in complex with 6'sulfo sialyl Lewisx

Spectrometer

Experimental method: SOLUTION NMR

Spectrometer ID	Spectrometer maker	Spectrometer model	Spectrometer type	Spectrometer field strength
1	Bruker	AVANCE	Bruker Avance	500
2	Bruker	AVANCE	Bruker Avance	600
3	Bruker	AVANCE	Bruker Avance	700
4	Bruker	AVANCE	Bruker Avance	750
5	Bruker	AVANCE	Bruker Avance	900

Experiment

experiment id	conditions id	solution id	Experiment type
1	1	1	2D 1H-15N HSQC
10	1	2	3D 1H-15N NOESY
11	1	4	2D 1H-1H NOESY
12	1	2	3D 1H-13C NOESY aliphatic
13	1	2	3D 1H-13C NOESY aromatic
14	1	4	2D 1H-1H TOCSY
15	1	3	2D 13C F2-filtered NOESY
16	1	3	2D 13C F1-filtered TOCSY
17	1	2	2D 13C F1-filtered TOCSY
18	2	3	2D 13C F1-filtered F2-filtered NOESY
19	2	3	3D 13C F1-edited F3-filtered NOESY
2	1	2	2D 1H-13C HSQC aliphatic
20	2	1	2D 13C/15N F2-filtered NOESY
3	1	2	2D 1H-13C HSQC aromatic
4	1	2	3D HNCA
5	1	2	3D HNCACB
6	1	2	3D CBCA(CO)NH
7	1	2	3D HNCO
8	1	2	3D HN(CO)CA
9	1	3	3D HCCH-TOCSY

NMR Sample

conditions id	NMR sample pH	NMR sample pressure	NMR sample temperature
1	7.4	ambient	293
2	7.4	ambient	303

Conformers

Conformers Calculated Total Number	500
Conformers Submitted Total Number	20