6TRP

Solution Structure of Docking Domain Complex of Pax NRPS: PaxC NDD - PaxB CDD

Spectrometer

Experimental method: SOLUTION NMR

Spectrometer ID	Spectrometer maker	Spectrometer model	Spectrometer type	Spectrometer field strength
1	Bruker	AVANCE		600
2	Bruker	AVANCE		700
3	Bruker	AVANCE		600
4	Bruker	AVANCE		800

Experiment

experiment id	conditions id	solution id	Experiment type
1	1	1	2D 1H-15N HSQC, 3D b-tr-HNCACB, 3D b-tr-HNCO, 3D HC(C)H-TOCSY
2	1	1	2D 1H-15N HSQC, 3D (H)CCH-TOCSY
3	1	2	2D 1H-15N HSQC, 3D HBHA(CO)NH, 3D HN(CA)CO, 3D H(CCO)NH
4	1	3	2D 1H-15N HSQC, 3D 1H-15N NOESY
5	1	2	2D 1H-13C HSQC aliphatic, 3D 1H-13C NOESY aliphatic
6	1	2	2D 1H-13C HSQC aromatic, 3D 1H-13C NOESY aromatic

NMR Sample

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

Conformers

Conformers Calculated Total Number	20
Conformers Submitted Total Number	20