1PVE
Solution structure of XPC binding domain of hHR23B
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_15N-separated_NOESY | 1mM hHR23B(275-342) U-15N, 13C; 40mM phosphate buffer NA; 10mM CHAPS NA | 90% H2O/10% D2O | 40mM Sodium Phosphate, 160mM Sodium Chloride, 10mM CHAPS | 7.0 | 1 atm | 300 | |
| 2 | 3D_13C-separated_NOESY | 1mM hHR23B(275-342) U-15N, 13C; 40mM phosphate buffer NA; 10mM CHAPS NA | 90% H2O/10% D2O | 40mM Sodium Phosphate, 160mM Sodium Chloride, 10mM CHAPS | 7.0 | 1 atm | 300 | |
| 3 | HNHA | 1mM hHR23B(275-342) U-15N, 13C; 40mM phosphate buffer NA; 10mM CHAPS NA | 90% H2O/10% D2O | 40mM Sodium Phosphate, 160mM Sodium Chloride, 10mM CHAPS | 7.0 | 1 atm | 300 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | INOVA | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| Automatic NOE assignment, distance geometry, simulated annealing, molecular dynamics | VNMR | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the least restraint violations |
| Conformers Calculated Total Number | 50 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 20 (closest to the average) |
| Additional NMR Experimental Information | |
|---|---|
| Details | the structures are based on a total of 1312 restraints, 1242 are NOE-derived distance constraints, 70 dihedral angle restraints ( 14 from Jhnha and 56 from TALOS) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | collection | VNMR | 6.3c | Varian |
| 2 | processing | NMRPipe | Frank Delaglio | |
| 3 | structure solution | CYANA | 1.6 | Peter Guentert |
| 4 | refinement | Amber | 7 | David A. Case etc |
