2GTV
NMR structure of monomeric chorismate mutase from Methanococcus jannaschii
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | standard suite for NMR protein structure determination | 0.6mM U-15N,13C, 20mM sodium phosphate, 50mM NaCl | 95% H20, 10% D20 | 50mM NaCl | 6.5 | ambient | 293 | |
| 2 | standard suite for NMR protein structure determination | 0.05mM U-15N,13C, 20mM sodium phosphate, 50mM NaCl | 95% H20, 10% D20 | 50mM NaCl | 6.5 | ambient | 293 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AVANCE | 600 |
| 2 | Bruker | AVANCE | 900 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | XwinNMR | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the least restraint violations |
| Conformers Calculated Total Number | |
| Conformers Submitted Total Number | 10 |
| Representative Model | 1 (random choice, due to similarity of all) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | collection | XwinNMR | 3.1 | bruker biospin ag |
| 2 | structure solution | X-PLOR | X-PLOR-NIH 2.9 4a | schwieters, kuszewski, tjandra, clore |
| 3 | processing | PROSA | guntert | |
| 4 | data analysis | CARA | 0.9.9 | keller |
| 5 | refinement | X-PLOR | X-PLOR-NIH 2.9 4a | schwieters, kuszewski, tjandra, clore |
