8UWU

EmrE structure in the proton-bound state (WT/L51I heterodimer)

Spectrometer

Experimental method: SOLID-STATE NMR, SOLUTION NMR

Spectrometer ID	Spectrometer maker	Spectrometer model	Spectrometer type	Spectrometer field strength
1	Bruker	AVANCE III		600
2	Bruker	AVANCE NEO		800
3	Agilent	Direct Drive		600
4	Bruker	AVANCE III		700

Experiment

experiment id	conditions id	solution id	Experiment type
1	1	1	3D HNCA
10	2	16	2D 15N/13C NCO
11	1	3	2D 1H-13C HSQC
12	1	3	2D 1H-15N TROSY
13	1	2	2D 1H-15N TROSY
14	1	2	3D HNCA
15	1	2	3D HNCO
16	1	1	3D HN(CO)CA
17	1	2	3D HN(CO)CA
18	1	1	2D 1H-15N TROSY
19	1	2	2D 1H-15N TROSY
2	1	1	2D 1H-15N TROSY
20	2	18	2D 13C/13C PDSD
21	2	19	2D 13C/13C PDSD
22	2	20	2D 13C/13C PDSD
23	2	21	2D 13C/13C PDSD
24	2	17	2D 15N/13C NCA
25	2	17	2D 15N/13C NCO
26	2	17	3D NCACX
27	2	17	3D NCOCX
28	2	17	3D CANCOCX
29	2	17	3D CANCO
3	3	22	2D 1H/15N PISEMA
30	2	16	2D 13C/13C DARR
31	2	17	3D CANCO
33	1	10	2D 1H-13C HSQC
34	1	10	2D 1H-15N TROSY
36	1	4	2D 1H-15N TROSY
37	1	5	2D 1H-13C HSQC
38	1	5	2D 1H-15N TROSY
39	1	6	2D 1H-13C HSQC
4	2	16	2D 15N/13C NCA
40	1	6	2D 1H-15N TROSY
41	1	9	2D 1H-15N TROSY
42	1	9	2D 1H-13C HSQC
43	1	8	2D 1H-15N TROSY
45	1	11	2D 1H-13C HSQC
46	1	14	2D 1H-13C HSQC
47	1	13	2D 1H-15N TROSY
48	1	13	2D 1H-13C HSQC
49	1	12	2D 1H-15N TROSY
5	1	1	3D HNCO
50	1	12	2D 1H-13C HSQC
51	1	11	2D 1H-15N TROSY
52	1	15	2D 1H-13C HSQC
53	1	14	2D 1H-15N TROSY
55	1	15	2D 1H-15N TROSY
6	2	16	3D NCACX
7	2	16	3D NCOCX
8	2	16	3D CANCOCX
9	2	16	3D CANCO

NMR Sample

conditions id	NMR sample pH	NMR sample pressure	NMR sample temperature
1	5.6	1	310
2	5	1	273
3	6	1	310

Conformers

Conformers Calculated Total Number	100000
Conformers Submitted Total Number	10