SOLUTION NMR
NMR Experiment | ||||||||
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Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
1 | 2D NOESY | 1MM RNA, 10MM NAPHOSPHATE BUFFER PH 6 | 10mM NAPHOSPHATE BUFFER PH 6 | 6 | 300 | |||
2 | 3D_13C-SEPARATED_NOESY | 1MM RNA, U 15N,13C, 10MM NAPHOSPHATE BUFFER PH 6 | 10mM NAPHOSPHATE BUFFER PH 6 | 6 | 300 | |||
3 | DQF-COSY | 1MM RNA, 10MM NAPHOSPHATE BUFFER PH 6 | 10mM NAPHOSPHATE BUFFER PH 6 | 6 | 300 | |||
4 | 2D TOCSY | 1MM RNA, 10MM NAPHOSPHATE BUFFER PH 6 | 10mM NAPHOSPHATE BUFFER PH 6 | 6 | 300 |
NMR Spectrometer Information | |||
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Spectrometer | Manufacturer | Model | Field Strength |
1 | Bruker | DMX | 600 |
NMR Refinement | ||
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Method | Details | Software |
COMPLETELY RANDOM STARTING COORDINATES X-PLOR BASED SIMULATED ANNEALING PROTOCOL | NOE DISTANCE CONSTRAINTS: 564, INTRARESIDUE: 331, SEQUENTIAL: 181, LONG AND MEDIUM RANGE: 52, HYDROGEN BONDING AND PLANARITY CONSTRAINTS: 90, DIHEDRAL CONSTRAINTS: 124, TOTAL EXPERIMENTAL CONSTRAINTS: 778, AVERAGE NUMBER PER NUCLEOTIDE: 31.1 | UXNMR |
NMR Ensemble Information | |
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Conformer Selection Criteria | structures with the lowest energy |
Conformers Calculated Total Number | 50 |
Conformers Submitted Total Number | 29 |
Computation: NMR Software | ||||
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# | Classification | Version | Software Name | Author |
1 | collection | UXNMR | ||
2 | processing | Felix | 2.10 | |
3 | data analysis | Felix | 97 | |
4 | refinement | X-PLOR | 3.851 | Brunger |