2KH9

Solution structure of yeast Prp24-RRM2 bound to a fragment of U6 RNA


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D 1H-13C HSQC500 uM [U-99% 13C; U-99% 15N] Prp24-RRM2-14, 5 mM AGAGAU-15, 10 mM TRIS-16, 50 mM potassium chloride-17, 1 mM DTT-18, 10 uM DSS-1990% H2O/10% D2O507ambient298.15
22D 1H-15N HSQC500 mM [U-99% 13C; U-99% 15N] Prp24-RRM2-9, 5 mM AGAGAU-10, 10 mM TRIS-11, 50 mM potassium chloride-12, 1 mM DTT-1390% H2O/10% D2O507ambient298.15
32D 1H-13C HSQC500 uM [U-99% 15N] Prp24-RRM2-5, 5 mM AGAGAU-6, 10 mM [U-2H] TRIS-7, 50 mM potassium chloride-8100% D2O507ambient298.15
43D CBCA(CO)NH500 mM [U-99% 13C; U-99% 15N] Prp24-RRM2-9, 5 mM AGAGAU-10, 10 mM TRIS-11, 50 mM potassium chloride-12, 1 mM DTT-1390% H2O/10% D2O507ambient298.15
53D C(CO)NH500 mM [U-99% 13C; U-99% 15N] Prp24-RRM2-9, 5 mM AGAGAU-10, 10 mM TRIS-11, 50 mM potassium chloride-12, 1 mM DTT-1390% H2O/10% D2O507ambient298.15
63D HNCO500 mM [U-99% 13C; U-99% 15N] Prp24-RRM2-9, 5 mM AGAGAU-10, 10 mM TRIS-11, 50 mM potassium chloride-12, 1 mM DTT-1390% H2O/10% D2O507ambient298.15
73D HNCACB500 mM [U-99% 13C; U-99% 15N] Prp24-RRM2-9, 5 mM AGAGAU-10, 10 mM TRIS-11, 50 mM potassium chloride-12, 1 mM DTT-1390% H2O/10% D2O507ambient298.15
83D HBHA(CO)NH500 mM [U-99% 13C; U-99% 15N] Prp24-RRM2-9, 5 mM AGAGAU-10, 10 mM TRIS-11, 50 mM potassium chloride-12, 1 mM DTT-1390% H2O/10% D2O507ambient298.15
93D HCCH-TOCSY500 mM [U-99% 13C; U-99% 15N] Prp24-RRM2-9, 5 mM AGAGAU-10, 10 mM TRIS-11, 50 mM potassium chloride-12, 1 mM DTT-1390% H2O/10% D2O507ambient298.15
103D 1H-15N NOESY500 mM [U-99% 13C; U-99% 15N] Prp24-RRM2-9, 5 mM AGAGAU-10, 10 mM TRIS-11, 50 mM potassium chloride-12, 1 mM DTT-1390% H2O/10% D2O507ambient298.15
113D 1H-13C NOESY500 uM [U-99% 15N] Prp24-RRM2-5, 5 mM AGAGAU-6, 10 mM [U-2H] TRIS-7, 50 mM potassium chloride-8100% D2O507ambient298.15
122D 1H-1H NOESY500 uM [U-99% 15N] Prp24-RRM2-5, 5 mM AGAGAU-6, 10 mM [U-2H] TRIS-7, 50 mM potassium chloride-8100% D2O507ambient298.15
132D 1H-1H NOESY300 uM Prp24-RRM2-1, 3 mM AGAGAU-2, 10 mM [U-2H] TRIS-3, 50 mM potassium chloride-4100% D2O507ambient298.15
142D 1H-15N HSQC-IPAP500 mM [U-99% 13C; U-99% 15N] Prp24-RRM2-9, 5 mM AGAGAU-10, 10 mM TRIS-11, 50 mM potassium chloride-12, 1 mM DTT-1390% H2O/10% D2O507ambient298.15
152D 1H-15N HSQC-IPAP300 uM [U-99% 13C; U-99% 15N] Prp24-RRM2-20, 3 mM AGAGAU-21, 10 mM TRIS-22, 50 mM potassium chloride-23, 1 mM DTT-24, 6.5 % DMPC/DHPC 3:1-2590% H2O/10% D2O507ambient298.15
163D J modulated CHSQC500 mM [U-99% 13C; U-99% 15N] Prp24-RRM2-9, 5 mM AGAGAU-10, 10 mM TRIS-11, 50 mM potassium chloride-12, 1 mM DTT-1390% H2O/10% D2O507ambient298.15
173D J modulated CHSQC300 uM [U-99% 13C; U-99% 15N] Prp24-RRM2-20, 3 mM AGAGAU-21, 10 mM TRIS-22, 50 mM potassium chloride-23, 1 mM DTT-24, 6.5 % DMPC/DHPC 3:1-2590% H2O/10% D2O507ambient298.15
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianINOVA600
2BrukerDMX750
3VarianINOVA900
4VarianINOVA800
NMR Refinement
MethodDetailsSoftware
simulated annealing, torsion angle dynamicsAmber
NMR Ensemble Information
Conformer Selection Criteriastructures with the lowest energy
Conformers Calculated Total Number100
Conformers Submitted Total Number10
Representative Model1 (lowest energy)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1refinementAmberCase, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ..., and Kollm
2collectionXwinNMRBruker Biospin
3processingNMRPipeDelaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
4processingNMRDrawDelaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
5peak pickingSparkyGoddard
6chemical shift assignmentSparkyGoddard
7structure solutionAtnosCandidHerrmann, T., Guentert, P., Wuethrich, K.
8structure solutionCNSBrunger, Adams, Clore, Gros, Nilges and Read
9data analysisTALOSCornilescu, Delaglio and Bax
10refinementHADDOCK2Dominguez, C., Boelens, R., Bonvin, A.M.M.J.
11structure solutionHADDOCK2Dominguez, C., Boelens, R., Bonvin, A.M.M.J.