2HGA
Solution NMR Structure of Conserved protein MTH1368, Northeast Structural Genomics Consortium Target TT821A
SOLUTION NMR
NMR Experiment | ||||||||
---|---|---|---|---|---|---|---|---|
Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
1 | SIMULTANEOUS HETERONUCLEAR RESOLVED [1H,1H]-NOESY | U-15N,13C; TRIS BUFFER, PH7.0, 200 mM NaCl2, ~10 uM ZnSO4, 0.01% NaN3, 1mM bezamidine, 1x inhibitor, 93% H2O, 7% D2O. | 93% H2O/7% D2O | 7.0 | ambient | 288 | ||
2 | 3D HNCACB | U-15N,13C; TRIS BUFFER, PH7.0, 200 mM NaCl2, ~10 uM ZnSO4, 0.01% NaN3, 1mM bezamidine, 1x inhibitor, 93% H2O, 7% D2O. | 93% H2O/7% D2O | 7.0 | ambient | 288 | ||
3 | 3D CBCA(CO)NH | U-15N,13C; TRIS BUFFER, PH7.0, 200 mM NaCl2, ~10 uM ZnSO4, 0.01% NaN3, 1mM bezamidine, 1x inhibitor, 93% H2O, 7% D2O. | 93% H2O/7% D2O | 7.0 | ambient | 288 | ||
4 | GFT (4,3)D HABCAB(CO)NHN | U-15N,13C; TRIS BUFFER, PH7.0, 200 mM NaCl2, ~10 uM ZnSO4, 0.01% NaN3, 1mM bezamidine, 1x inhibitor, 93% H2O, 7% D2O. | 93% H2O/7% D2O | 7.0 | ambient | 288 | ||
5 | GFT (4,3)D HCCH | U-15N,13C; TRIS BUFFER, PH7.0, 200 mM NaCl2, ~10 uM ZnSO4, 0.01% NaN3, 1mM bezamidine, 1x inhibitor, 93% H2O, 7% D2O. | 93% H2O/7% D2O | 7.0 | ambient | 288 |
NMR Spectrometer Information | |||
---|---|---|---|
Spectrometer | Manufacturer | Model | Field Strength |
1 | Varian | INOVA | 750 |
2 | Varian | INOVA | 600 |
NMR Refinement | ||
---|---|---|
Method | Details | Software |
simulated annealing, molecular dynamics, torsion angle dynamics | VNMR |
NMR Ensemble Information | |
---|---|
Conformer Selection Criteria | target function |
Conformers Calculated Total Number | 100 |
Conformers Submitted Total Number | 20 |
Representative Model | 1 (fewest violations) |
Computation: NMR Software | ||||
---|---|---|---|---|
# | Classification | Version | Software Name | Author |
1 | collection | VNMR | 6.1C | Varian |
2 | processing | NMRPipe | 2.3 | Delaglio, F. |
3 | data analysis | AutoAssign | 1.15.1 | MOSELEY, H. |
4 | data analysis | AutoStructure | 2.0 | HUANG, Y.J. |
5 | structure solution | CYANA | 2.1 | GUNTERT |
6 | refinement | CNS | 1.1 | BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,READ,RICE,SIMONSON,WARREN |