6EWV

Solution Structure of Docking Domain Complex of RXP NRPS: Kj12C NDD - Kj12B CDD

Spectrometer

Experimental method: SOLUTION NMR

Spectrometer ID	Spectrometer maker	Spectrometer model	Spectrometer type	Spectrometer field strength
1	Bruker	AVANCE		600
2	Bruker	AVANCE		600
5	Bruker	AVANCE		800
6	Bruker	AVANCE		600

Experiment

experiment id	conditions id	solution id	Experiment type
1	1	1	3D 1H-15N NOESY
10	1	2	2D 1H-13C HSQC aromatic
11	1	2	2D 1H-13C HSQC aliphatic
2	1	2	3D 1H-13C NOESY
3	1	2	3D HCCH-TOCSY
4	1	2	3D HCCH-TOCSY
5	1	2	3D HBHA(CO)NH
6	1	2	3D b-tr-HN(CO)CA
7	1	2	3D b-tr-HNCACB
8	1	2	3D b-tr-HNCO
9	1	1	2D 1H-15N b-tr-HSQC

NMR Sample

conditions id	NMR sample pH	NMR sample pressure	NMR sample temperature
1	6.5	AMBIENT	293

Conformers

Conformers Calculated Total Number	100
Conformers Submitted Total Number	20