2RR4
Complex structure of the zf-CW domain and the H3K4me3 peptide
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D 1H-15N NOESY | 20mM D-tris-HCl(PH 7.0); 100mM NaCl; 0.02% D-DTT; 50micro-M ZNCl2+1mM IDA; 10% D2O, 90% H2O | 90% H2O/10% D2O | 120 | 7.0 | ambient | 298 | |
| 2 | 3D 1H-13C NOESY | 20mM D-tris-HCl(PH 7.0); 100mM NaCl; 0.02% D-DTT; 50micro-M ZNCl2+1mM IDA; 10% D2O, 90% H2O | 90% H2O/10% D2O | 120 | 7.0 | ambient | 298 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | Avance | 800 |
| 2 | Bruker | DRX | 800 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| torsion angle dynamics, simulated annealing | NMRPipe | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the least restraint violations |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 1 (lowest energy) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | processing | NMRPipe | 5.0 | Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax |
| 2 | structure solution | CYANA | 2.1 | Guntert, Mumenthaler and Wuthrich |
| 3 | refinement | CYANA | 2.1 | Guntert, Mumenthaler and Wuthrich |
| 4 | refinement | AMBER | 9.0 | Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, and Kollm |
| 5 | data analysis | NMRView | 5.0 | Johnson, One Moon Scientific |
| 6 | collection | xwinnmr | 3.0 | Bruker Biospin |
| 7 | data analysis | Kujira | 0.9839 | Naohiro Kobayashi |
