2BL6
Solution structure of the Zn complex of EIAV NCp11(22-58) peptide, including two CCHC Zn-binding motifs.
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D NOESY | 10% WATER/90% D2O | 210 mM | 5.8 | 1.0 atm | 293.0 | ||
| 2 | DQF-COSY | 10% WATER/90% D2O | 210 mM | 5.8 | 1.0 atm | 293.0 | ||
| 3 | TOCSY | 10% WATER/90% D2O | 210 mM | 5.8 | 1.0 atm | 293.0 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | INOVA | 500 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| SIMULATED ANNEALING-ENERGY MINIMIZATION | SIMULATED ANNEALING FOLLOWED BY ENERGY MINIMIZATION, BOTH PERFORMED WITH A GBSA IMPLICIT SOLVENT APPROACH | Amber |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | STRUCTURES WITH ACCEPTABLE COVALENT GEOMETRY, FAVORABLE ENERGY, THE LEAST RESTRAINT VIOLATIONS |
| Conformers Calculated Total Number | 150 |
| Conformers Submitted Total Number | 30 |
| Representative Model | 1 (n/a) |
| Additional NMR Experimental Information | |
|---|---|
| Details | NONE |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | Amber | PEARLMAN,CASE,CALDWELL,ROSS,CHEATHAM, FERGUSON, SEIBEL,SINGH,WEINER,KOLLMAN | |
| 2 | structure solution | Amber | ||
