2NDO

Structure of EcDsbA-sulfonamide1 complex

Spectrometer

Experimental method: SOLUTION NMR

Spectrometer ID	Spectrometer maker	Spectrometer model	Spectrometer type	Spectrometer field strength
1	Bruker	AVANCE	Bruker Avance	900
2	Bruker	AVANCE	Bruker Avance	800
3	Bruker	AVANCE	Bruker Avance	600

Experiment

experiment id	conditions id	solution id	Experiment type
1	2	2	3D F1- 13 C, 15 N-filtered, F3 - 13 C ali (methyl) edited [ 1 H, 1 H]-NOESY
2	2	2	2D F1-edited, F2-13C,15N-Filtered [1H,1H]-NOESY
3	2	2	2D 1H-13C HSQC
4	1	1	2D 1H-13C HSQC
5	1	1	3D CHD2-C-TOCSY

NMR Sample

conditions id	NMR sample pH	NMR sample pressure	NMR sample temperature
1	6.8	ambient	300
2	6.8	ambient	300

Conformers

Conformers Calculated Total Number	200
Conformers Submitted Total Number	10