2CD1
Refinement of P4 stemloop structure using residual dipolar coupling data
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 1H-15N HSQC | 90% WATER/10% D2O | 100 mM | 6.5 | 1.0 atm | 288.0 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | DMX | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| RESTRAINED MOLECULAR DYNAMICS | DETAILS OF THE REFINEMENT PROCEDURE AGAINST RESIDUAL DIPOLAR COUPLINGS ARE GIVEN IN THE PRIMARY REFERENCE CITATION ABOVE | X-PLOR 3.843 NIH |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | LEAST RESTRAINT VIOLATION |
| Conformers Calculated Total Number | 50 |
| Conformers Submitted Total Number | 1 |
| Additional NMR Experimental Information | |
|---|---|
| Details | THE STRUCTURE WAS DETERMINED USING CONSTRAINT DATA FROM HOMONUCLEAR NMR SPECTROSCOPY AS DESCRIBED IN ENTRY 1F6X, AND ADDITIONAL RESIDUAL DIPOLAR COUPLINS FOR THE IMINO RESONANCES DERIVED FROM HSCQ TYPE EXPERIMENTS ACQUIRED IN THE PRESENCE AND ABSENCE OF 22 MG PER ML PF1 PHAGE |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | X-PLOR 3.843 NIH | NIH | BRUNGER |
| 2 | structure solution | X-PLOR 3.843 NIH | NIH | |
