2N8A

1H, 13C and 15N chemical shift assignments and solution structure for PARP-1 F1F2 domains in complex with a DNA single-strand break

Spectrometer

Experimental method: SOLUTION NMR

Spectrometer ID	Spectrometer maker	Spectrometer model	Spectrometer type	Spectrometer field strength
1	Bruker	Avance I	Bruker Avance I	800
2	Bruker	AVANCE II	Bruker Avance II+	700
3	Bruker	DMX	Bruker DMX	600
4	Bruker	DRX	Bruker DRX	500

Experiment

experiment id	conditions id	solution id	Experiment type
1	1	1	2D 1H-15N TROSY
10	1	3	2D 1H-15N TROSY
11	1	4	3D 1H-13C-1H NOESY-HMQC
12	1	5	HMCM(CG)CBCA
13	1	6	2D 1H-1H NOESY
14	1	6	3D 13C-13C-1H HMQC-NOESY-HMQC
15	1	6	3D 1H-13C-1H NOESY-HMQC
16	1	7	2D 1H-13C HSQC aromatic
17	1	8	2D 1H-1H NOESY filtered to accept 13C-1H in w2
18	1	8	2D 1H-1H NOESY filtered to accept 13C-1H in w2 (no decoupling in w1)
19	1	9	2D 1H-1H NOESY filtered to accept 13C-1H in w2
2	1	1	2D 1H-13C HMQC
20	1	9	2D 1H-1H NOESY filtered to accept 13C-1H in w2 (no decoupling in w1)
21	1	10	2D 1H-1H NOESY filtered to accept 13C-1H in w2 (no decoupling in w1)
22	1	11	2D 1H-1H NOESY filtered to accept 13C-1H in w2
23	1	12	2D 1H-13C HSQC aliphatic
24	1	12	2D 1H-1H NOESY filtered to accept 13C-1H in w2
25	1	13	2D 1H-1H TOCSY
26	1	13	2D 1H-1H NOESY
27	2	14	2D 1H-1H TOCSY
28	2	14	2D 1H-1H NOESY
29	1	15	2D 1H-1H NOESY
3	1	1	TROSY-NHCACB (optimized for CB)
30	3	16	2D 1H-15N TROSY
31	3	17	2D 1H-15N TROSY
4	1	1	TROSY-HNCA
5	1	1	TROSY-HN(CO)CA
6	1	2	2D 1H-15N TROSY
7	1	2	2D 1H-13C HMQC
8	1	2	TROSY-HNCA
9	1	2	TROSY-HN(CO)CA

NMR Sample

conditions id	NMR sample pH	NMR sample pressure	NMR sample temperature
1	7.2	ambient	310
2	7.2	ambient	300
3	7.2	ambient	303

Conformers

Conformers Calculated Total Number	78
Conformers Submitted Total Number	78