7S5J

Solution NMR structure of substrate bound peptidase domain from PCAT1

Spectrometer

Experimental method: SOLUTION NMR

Spectrometer ID	Spectrometer maker	Spectrometer model	Spectrometer type	Spectrometer field strength
1	Bruker	AVANCE		500
2	Bruker	AVANCE III HD		700
4	Bruker	AVANCE		900
5	Bruker	AVANCE III HD		800
6	Bruker	AVANCE		800

Experiment

experiment id	conditions id	solution id	Experiment type
1	1	1	2D 1H-15N HSQC
10	1	1	3D 1H-13C NOESY aliphatic
11	1	1	3D HCCH-TOCSY
12	1	1	3D 1H-15N NOESY
13	1	1	2D f1,f2 C13/N15 filtered NOESY
14	1	1	2D f2 C13/N15 filtered NOESY
15	1	2	3D HNCO
16	1	2	3D HNCA
17	1	2	2D 1H-13C HSQC aromatic
18	1	2	2D 1H-13C HSQC aliphatic
19	1	2	2D 1H-15N HSQC
2	1	1	2D 1H-13C HSQC aliphatic
20	1	2	3D HCCH-COSY
21	1	2	3D HCCH-TOCSY
22	1	2	3D 1H-13C NOESY aliphatic
23	1	2	3D 1H-15N NOESY
24	1	2	3D 1H-13C NOESY aromatic
3	1	1	2D 1H-13C HSQC aromatic
4	1	1	3D HNCA
6	1	1	3D HNCO
7	1	1	3D HCCH-COSY
9	1	1	3D 1H-13C NOESY aromatic

NMR Sample

conditions id	NMR sample pH	NMR sample pressure	NMR sample temperature
1	7	1	288

Conformers

Conformers Calculated Total Number	500
Conformers Submitted Total Number	20