2V6Z
Solution Structure of Amino-Terminal Domain of Human DNA Polymerase Epsilon Subunit B
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D-15N-SEPARATED_NOESY | 0.7 MM PROTEIN | 6.62 | 1.0 atm | 298.0 | |||
| 2 | 3D_13C-SEPARATED_NOESY | 0.7 MM PROTEIN | 6.62 | 1.0 atm | 298.0 | |||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | INOVA | 600 |
| 2 | Varian | INOVA | 800 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | THE STRUCTURES ARE BASED ON A TOTAL OF 1488 DISTANCE RESTRAINTS. | Amber |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | LOWEST NOE RESTRAINT VIOLATION ENERGIES |
| Conformers Calculated Total Number | 300 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 1 (n/a) |
| Additional NMR Experimental Information | |
|---|---|
| Details | NONE |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | Amber | 8 | D.A.CASE,T.A.DARDEN,T.E CHEATHAM III,C.L. SIMMERLING,J.WANG,R.E.DUKE,R.LUO,K.M.MERZ, B.WANG,D.A.PEARLMAN,M.CROWLEY,S.BROZELL, V.TSUI,H.GOHLKE,J.MONGAN,V.HORNAK,G.CUI, P.BEROZA,C.SCHAFMEISTER,J.W.CALDWELL,W.S.ROSS |
| 2 | structure solution | CYANA | ||
| 3 | structure solution | Amber | 8 | |
| 4 | structure solution | PROCHECK / PROCHECK-NMR | NMR | |
