1QGP
NMR STRUCTURE OF THE Z-ALPHA DOMAIN OF ADAR1, 15 STRUCTURES
SOLUTION NMR
NMR Experiment | ||||||||
---|---|---|---|---|---|---|---|---|
Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
1 | NOESY (1H | NA-PHOSPHATE | 0.137 M NACL | 5.0 | 1 atm | 298 | ||
2 | 13C | NA-PHOSPHATE | 0.137 M NACL | 5.0 | 1 atm | 298 | ||
3 | 15N) | NA-PHOSPHATE | 0.137 M NACL | 5.0 | 1 atm | 298 | ||
4 | 15N TOCSY-HSQC | NA-PHOSPHATE | 0.137 M NACL | 5.0 | 1 atm | 298 | ||
5 | 2D TOCSY | NA-PHOSPHATE | 0.137 M NACL | 5.0 | 1 atm | 298 | ||
6 | HCCHTOCSY | NA-PHOSPHATE | 0.137 M NACL | 5.0 | 1 atm | 298 | ||
7 | HNCA | NA-PHOSPHATE | 0.137 M NACL | 5.0 | 1 atm | 298 | ||
8 | HN(CO)CA | NA-PHOSPHATE | 0.137 M NACL | 5.0 | 1 atm | 298 | ||
9 | HNCACB | NA-PHOSPHATE | 0.137 M NACL | 5.0 | 1 atm | 298 | ||
10 | HN(CO)CACB | NA-PHOSPHATE | 0.137 M NACL | 5.0 | 1 atm | 298 | ||
11 | HNCO | NA-PHOSPHATE | 0.137 M NACL | 5.0 | 1 atm | 298 | ||
12 | HN(CA)CO | NA-PHOSPHATE | 0.137 M NACL | 5.0 | 1 atm | 298 |
NMR Spectrometer Information | |||
---|---|---|---|
Spectrometer | Manufacturer | Model | Field Strength |
1 | Bruker | DMX750 | 750 |
2 | Bruker | DRX600 | 600 |
3 | Bruker | SELF-BUIL | 500 |
NMR Refinement | ||
---|---|---|
Method | Details | Software |
molecular dynamics | X-PLOR |
NMR Ensemble Information | |
---|---|
Conformer Selection Criteria | LEAST RESTRAINT VIOLATION AND LOWEST ENERGY |
Conformers Calculated Total Number | 200 |
Conformers Submitted Total Number | 15 |
Representative Model | 1 (n/a) |
Computation: NMR Software | ||||
---|---|---|---|---|
# | Classification | Version | Software Name | Author |
1 | refinement | X-PLOR | 3.1 | BRUNGER |
2 | structure solution | X-PLOR | 3.1 |