6GD5

The solution structure of the LptA-Thanatin complex

Spectrometer

Experimental method: SOLUTION NMR

Spectrometer ID	Spectrometer maker	Spectrometer model	Spectrometer type	Spectrometer field strength
1	Bruker	AVANCE NEO		600
2	Bruker	AVANCE NEO		700

Experiment

experiment id	conditions id	solution id	Experiment type
1	1	2	2D 1H-15N HSQC
10	1	2	3D CBCA(CO)NH
11	1	2	3D HNCO
19	1	4	2D 1H-13C HSQC aromatic
2	1	4	2D 1H-15N HSQC
20	1	2	3D 1H-13C NOESY aromatic
21	1	2	3D 1H-13C NOESY aliphatic
22	1	4	13C,15N filtered, 13C edited (aliph) NOESY
23	1	4	3D HNCO
24	1	2	13C,15N filtered, 13C edited (aliph.) NOESY
25	1	4	3D 13C,15N-filtered, 15N edited NOESY
26	1	2	3D 13C,15N-filtered, 15N edited NOESY
27	1	4	3D 1H-13C NOESY aliphatic
28	1	4	3D 1H-15N NOESY
29	1	4	3D HCCH-TOCSY
3	1	2	2D 1H-13C HSQC aliphatic
30	1	4	3D HBHA(CO)NH
31	1	4	3D HNCACB
32	1	4	3D CBCA(CO)NH
33	1	2	HBCBCGCDHE
34	1	2	HBCBCGCDCEHE
35	1	2	13C,15N filtered, 13C edited (aro.) NOESY
36	1	4	13C,15N filtered, 13C edited (arom.) NOESY
4	1	2	2D 1H-13C HSQC aromatic
5	1	4	2D 1H-13C HSQC aliphatic
6	1	2	3D 1H-15N NOESY
7	1	2	3D HCCH-TOCSY
8	1	2	3D HBHA(CO)NH
9	1	2	3D HNCACB

NMR Sample

conditions id	NMR sample pH	NMR sample pressure	NMR sample temperature
1	7.5	1	308

Conformers

Conformers Calculated Total Number	100
Conformers Submitted Total Number	20