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 |