2GHF
Solution structure of the complete zinc-finger region of human zinc-fingers and homeoboxes 1 (ZHX1)
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D NOESY | 0.3 mM ZHX1-ZNF; 50 mM NaPO4; 150 mM NaCl; 40 uM ZnCl2, 90% H2O, 10% D2O | 90% H2O/10% D2O | 8.0 | ambient | 293 | ||
| 2 | 3D_15N-separated_NOESY | 0.3 mM ZHX1-ZNF; 50 mM NaPO4; 150 mM NaCl; 40 uM ZnCl2, 90% H2O, 10% D2O | 90% H2O/10% D2O | 8.0 | ambient | 293 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AVANCE | 900 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| Sparky ASSIGNMENT - CYANA structure calculations; run1: use 70% most intense peaks for initial fold, run2: refine initial fold using all peaks - water refinement with CNS | Structures are based on 2034 distance restraints (including for each of the two zinc-fingers 4 C2H2-to-Zinc restraints and 6 C2H2 restraints to arrange their Zn-coordinating atoms in a tetrahedron). In addition 192 dihedral restraints were used (100 from TALOS and 92 from CSI). | XwinNMR |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with acceptable covalent geometry,structures with the lowest energy,target function |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 1 (lowest energy) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | collection | XwinNMR | 3.5 | BRUKER |
| 2 | processing | XwinNMR | 3.5 | BRUKER |
| 3 | data analysis | Sparky | 3 | Goddard and Kneller |
| 4 | structure solution | CYANA | 2.1 | Guntert |
| 5 | refinement | CNS | 1.1 | Brunger |
