2CD3
Refinement of RNase P P4 stemloop structure using residual dipolar coupling data - C70U mutant
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 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 CONSTRAINTS FROM HOMONUCLEAR NMR EXPERIMENTS AS DESCRIBED IN ENTRY 1F6Z, AND ADDITIONAL RESIDUAL DIPOLAR COUPLINGS FROM HSQC TYPE EXPERIMENTS ACQUIRED WITH AND WITHOUT 22 MG PER ML PF1 PHAGE PRESENT IN SOLUTION |
| 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 | |
