1AO8
DIHYDROFOLATE REDUCTASE COMPLEXED WITH METHOTREXATE, NMR, 21 STRUCTURES
SOLUTION NMR
NMR Experiment | ||||||||
---|---|---|---|---|---|---|---|---|
Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
1 | COSY | 150 mM | 6.5 | 308 | ||||
2 | NOESY | 150 mM | 6.5 | 308 | ||||
3 | ROESY | 150 mM | 6.5 | 308 | ||||
4 | HNHA | 150 mM | 6.5 | 308 | ||||
5 | HNHB | 150 mM | 6.5 | 308 | ||||
6 | HSQC | 150 mM | 6.5 | 308 | ||||
7 | 3D-1H/13C-NOESY-HMQC | 150 mM | 6.5 | 308 | ||||
8 | 3D-1H/ 15N-HMQC-NOESY-HMQC | 150 mM | 6.5 | 308 | ||||
9 | 1H/15N-NOESY-HSQC | 150 mM | 6.5 | 308 | ||||
10 | 4D-13C/ 13C-EDITED-NOESY | 150 mM | 6.5 | 308 |
NMR Spectrometer Information | |||
---|---|---|---|
Spectrometer | Manufacturer | Model | Field Strength |
1 | Varian | UNITY | 600 |
NMR Refinement | ||
---|---|---|
Method | Details | Software |
simulated annealing | REFINEMENT DETAILS CAN BE FOUND IN THE J. MOL. BIOL. PAPER, GARGARO ET AL. CITED ABOVE. | X-PLOR |
NMR Ensemble Information | |
---|---|
Conformer Selection Criteria | NO NOE VIOLATION |
Conformers Calculated Total Number | 21 |
Conformers Submitted Total Number | 21 |
Computation: NMR Software | ||||
---|---|---|---|---|
# | Classification | Version | Software Name | Author |
1 | refinement | X-PLOR | BRUNGER | |
2 | structure solution | XPLOR |