1Q1V
Structure of the Oncoprotein DEK: a putative DNA-binding Domain Related to the Winged Helix Motif
SOLUTION NMR
NMR Experiment | ||||||||
---|---|---|---|---|---|---|---|---|
Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
1 | 3D_15N-separated_NOESY | 1.0MM DEK C-TERMINAL DOMAIN | 50mM NAPO4, 100mM KCL | 6.75 | AMBIENT | 293 | ||
2 | 3D_13C-separated_NOESY | 1.0MM DEK C-TERMINAL DOMAIN | 50mM NAPO4, 100mM KCL | 6.75 | AMBIENT | 293 | ||
3 | 3D HCCH-TOCSY | 1.0MM DEK C-TERMINAL DOMAIN | 50mM NAPO4, 100mM KCL | 6.75 | AMBIENT | 293 |
NMR Spectrometer Information | |||
---|---|---|---|
Spectrometer | Manufacturer | Model | Field Strength |
1 | Varian | INOVA | 600 |
2 | Varian | INOVA | 800 |
NMR Refinement | ||
---|---|---|
Method | Details | Software |
simulated annealing | STRUCTURE BASED ON 1456 NON-REDUNDANT NOES, 33 HYDROGEN BOND RESTRAINTS DERIVED FROM DEUTERIUM EXCHANG EXPERIMENTS, AND 46 DIHEDRAL-ANGLE RESTRAINTS DERIVED FROM CA CHEMICAL SHIFTS. | X-PLOR |
NMR Ensemble Information | |
---|---|
Conformer Selection Criteria | STRUCTURES WITH THE LOWEST TOTAL ENERGY |
Conformers Calculated Total Number | 80 |
Conformers Submitted Total Number | 10 |
Representative Model | 1 (n/a) |
Additional NMR Experimental Information | |
---|---|
Details | DISTANCE RESTRAINTS COLLECTED FROM A NOESY SPECTRUM WITH 150MS MIXING TIME. |
Computation: NMR Software | ||||
---|---|---|---|---|
# | Classification | Version | Software Name | Author |
1 | refinement | X-PLOR | BRUNGER | |
2 | structure solution | X-PLOR |