1OVX
NMR structure of the E. coli ClpX chaperone zinc binding domain dimer
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_13C/15N-separated_NOESY | 1.3 mM ClpX U-15N,13C | 20 mM sodium phosphate buffer, 0.03% sodium azide, pH 7.5; 150 mM sodium chloride; 90% H2O, 10% H2O | 150 mM NaCl | 7.5 | ambient | 303 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | Avance | 600 |
| 2 | Varian | INOVA | 500 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing cartesian dynamics | The structure is based on 463 intramolecular distance restraints, 47 intermolecular restraints and 24 hydrogen bond restraints. 30 phi/psi dihedral angle restraints were incorporated based on analysis of chemical shifts by TALOS | X-PLOR |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with acceptable covalent geometry |
| Conformers Calculated Total Number | 500 |
| Conformers Submitted Total Number | 1 |
| Representative Model | 1 (fewest violations,lowest energy) |
| Additional NMR Experimental Information | |
|---|---|
| Details | This structure was determined using standard triple-resonance NMR methods |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | structure solution | X-PLOR | NIH | Brunger |
| 2 | processing | NMRPipe | 2.1 | Delaglio |
| 3 | data analysis | NMRView | 5.0 | Johnson |
| 4 | refinement | X-PLOR | NIH | Brunger |
