1XNA
NMR SOLUTION STRUCTURE OF THE SINGLE-STRAND BREAK REPAIR PROTEIN XRCC1-N-TERMINAL DOMAIN
SOLUTION NMR
NMR Experiment | ||||||||
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Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
1 | 3D HNCACB | H2O AND D2O | 0.4 | 6.8 | 1 atm | 298 | ||
2 | CBCA(CO)NH | H2O AND D2O | 0.4 | 6.8 | 1 atm | 298 | ||
3 | HNCA | H2O AND D2O | 0.4 | 6.8 | 1 atm | 298 | ||
4 | HN(CO)CA | H2O AND D2O | 0.4 | 6.8 | 1 atm | 298 | ||
5 | 15N-EDITED TOCSY | H2O AND D2O | 0.4 | 6.8 | 1 atm | 298 | ||
6 | HCC(CO)NH | H2O AND D2O | 0.4 | 6.8 | 1 atm | 298 | ||
7 | CC(CO)NH | H2O AND D2O | 0.4 | 6.8 | 1 atm | 298 | ||
8 | HCCH TOCSY | H2O AND D2O | 0.4 | 6.8 | 1 atm | 298 | ||
9 | HNCO | H2O AND D2O | 0.4 | 6.8 | 1 atm | 298 | ||
10 | HNHA | H2O AND D2O | 0.4 | 6.8 | 1 atm | 298 | ||
11 | HNHB | H2O AND D2O | 0.4 | 6.8 | 1 atm | 298 | ||
12 | 2D (HB)CB(CGCD)HD | H2O AND D2O | 0.4 | 6.8 | 1 atm | 298 | ||
13 | 1H-15N-HSQC | H2O AND D2O | 0.4 | 6.8 | 1 atm | 298 | ||
14 | 1H-13C-HSQC | H2O AND D2O | 0.4 | 6.8 | 1 atm | 298 | ||
15 | 1H-TOCSY | H2O AND D2O | 0.4 | 6.8 | 1 atm | 298 | ||
16 | AROMATIC 1H-13C-HSQC | H2O AND D2O | 0.4 | 6.8 | 1 atm | 298 | ||
17 | HMQC-J | H2O AND D2O | 0.4 | 6.8 | 1 atm | 298 | ||
18 | 3D 15N-NOESY | H2O AND D2O | 0.4 | 6.8 | 1 atm | 298 | ||
19 | 3D 13C-NOESY | H2O AND D2O | 0.4 | 6.8 | 1 atm | 298 |
NMR Spectrometer Information | |||
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Spectrometer | Manufacturer | Model | Field Strength |
1 | Varian | INOVA | 600 |
NMR Refinement | ||
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Method | Details | Software |
torsion angle dynamics | REFINEMENT DETAILS CAN BE FOUND IN THE JOURNAL CITATION ABOVE. | X-PLOR |
NMR Ensemble Information | |
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Conformer Selection Criteria | MINIMIZED AVERAGE STRUCTURE OF 23 CONFORMERS |
Conformers Calculated Total Number | |
Conformers Submitted Total Number | 1 |
Additional NMR Experimental Information | |
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Details | THE STRUCTURE WAS DETERMINED USING TRIPLE-AND DOUBLE-RESONANCE NMR SPECTROSCOPY ON 13C-, 15N-LABELED XRCC1-N-TERMINAL DOMAIN |
Computation: NMR Software | ||||
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# | Classification | Version | Software Name | Author |
1 | refinement | X-PLOR | 3.851 | BRUNGER |
2 | structure solution | DYANA | 1.5 |