NMR Pulse Sequences for BRUKER Spectrometers
- MQ-(H)CCmHm-TOCSY
- MQ-H(C)CmHm-TOCSY
- MQ-(H)CCH-nct-TOCSY
- diagonal-suppressed 15N-edited NOESY
- Interface_RHz
- 4D 13C,15N-edited NOESY
- Simultaneously 13C,15N-edited NOESY (3D)
- CH3_crossJ
- CH3 T1
- 3D TROSY HNCA ( for fully protonated samples )
- 3D TROSY HN(CO)CA ( for fully protonated samples )
- 4D time-shared NOESY
| 1 | MQ-(H)CCmHm-TOCSY |
| Description | correlates methyl 1H/13C with all aliphatic 13C spins in the same residue through a 13C TOCSY mixing scheme |
| Reference | Yang, Daiwen; Zheng, Yu; Liu, Dingjiang; Wyss, Daniel F. Sequence-specific assignments of methyl groups in high-molecular weight proteins. Journal of the American Chemical Society (2004), 126(12), 3710-3711. |
| Download | hcch3 tocsy with parameters |
| 2 | MQ-H(C)CmHm-TOCSY |
| Description | correlates methyl 1H/13C with all aliphatic 1H spins in the same residue through a 13C TOCSY mixing scheme |
| Reference | Zheng, Yu; Giovannelli, Janel L.; Ho, Nancy T.; Ho, Chien; Yang, Daiwen. Side-chain assignments of methyl-containing residues in a uniformly 13C-labeled hemoglobin in the carbonmonoxy form. Journal of Biomolecular NMR (2004), 30(4), 423-429. |
| Download | hcch3 h tocsy with parameters |
| 3 | MQ-(H)CCH-nct-TOCSY |
| Description | The sequence is used for the assignment of aliphatic side-chain resonances. It can also be used for the assignment of Leu methyl groups with strong coupling effects or methyl assignment in the case where sensitivity is an issue. |
| Reference |
Zheng, Yu; Giovannelli, Janel L.; Ho, Nancy T.; Ho, Chien; Yang, Daiwen. Side-chain assignments of methyl-containing residues in a uniformly 13C-labeled hemoglobin in the carbonmonoxy form. Journal of Biomolecular NMR (2004), 30(4), 423-429. Xu, Yingqi; Lin, Zhi; Chien, Ho; Yang, Daiwen. A general strategy for the assignment of aliphatic side-chain resonances of uniformly 13C,15N-labeled large proteins, Journal of the American Chemical Society(2005), 127(34): 11920 – 11921. |
| Download | mqtocsy (Sequence, Parameters and NMRpipe Script) |
| 4 | diagonal-suppressed 15N-edited NOESY |
| Description | 15N-edited NOESY spectra: one with only diagonal peaks and one with both diagonals and cross-peaks. The difference spectrum contains no diagonal peaks. The data sets should be separated and subtracted before processing using the scripts attached here. |
| Reference | Wu, Jihui; Fan, Jing-song; Pascal, Steven M.; Yang, Daiwen. General method for suppression of diagonal peaks in heteronuclear-edited NOESY spectroscopy. Journal of the American Chemical Society (2004), 126(46), 15018-15019. |
| Download | N15 NOESY noD (Sequence, Parameters and NMRpipe Scripts) |
| 5 | Interface_RHz |
| Description | Measurement of amide proton longitudinal relaxation time with suppression of cross-relaxation between amide and aliphatic protons and NH-H2O exchange effect. Using this experiment, one can map out protein-protein interaction interfaces. |
| Reference | Sui, Xiaogang; Xu, Yingqi; Giovannelli, Janel L.; Ho, Nancy T.; Chien, Ho, Yang, Daiwen. Mapping protein-protein interface on the basis of proton density difference. Angewandte Chemie International Edition (2005), 44(32):5141-5144 |
| Download | protein-protein interface (pulse and parameters) |
| 6 | 4D 13C,15N-edited NOESY |
| Description | It is a HMQC-NOESY-HSQC experiment. It is optimized for fully protonated proteins > 20 kDa. One can use it to assign either side-chain resonances based on prior backbone assignment of large proteins. One can also use it to do de nevo resonance assignment of large proteins without deuteration. Of course, the experiment provides NOEs for structure determination. |
| Reference |
Xu, Yingqi; Zheng, Yu; Fan, Jing-song; Yang, Daiwen. A novel strategy for structure determination of large proteins without deuteration, Nature Methods(2006),3(11): 931-937. Xu, Yingqi; Lin, Zhi; Chien, Ho; Yang, Daiwen. A general strategy for the assignment of aliphatic side-chain resonances of uniformly 13C,15N-labeled large proteins, J. Am. Chem. Soc(2005), 127(34):11920 – 11921. |
| Download | noesy-nc-4d |
| 7 | Simultaneously 13C,15N-edited NOESY (3D) |
| Description | Using this experiment, one can obtain two 3D spectra: 13C-edited NOESY and 15N-edited NOESY.� These two spectra are obtained from the addition and subtruction of two data sets recorded in an interleaved manner. Aromatic resonances can be assigned with this experiment. |
| Reference | Lin, Zhi; Xu, Yingqi; Yang, Shuai; Yang, Daiwen. Sequence-Specific Assignment of Aromatic Resonances of Uniformly 13C,15N-Labeled Proteins with Use of 13C- and 15N-edited NOESY Spectra, Angew. Chem. Int. Ed. Engl(2006), 45:1960-1963 |
| Download | nc 3d noesy |
| 8 | CH3_crossJ |
| Description | Measurement of methyl C-H/C-H cross-correlated relaxation. It is a 2D 1H-13C HSQC-type experiment. |
| Reference | Zhang, Xu; Sui, Xiaogang; Yang, Daiwen. Probing methyl dynamics from 13C auto- and cross-correlated relaxation, Journal of the American Chemical Society(2006), 128(15):5073- 5081 |
| Download | ch3_crossj |
| 9 | CH3 T1 |
| Description | Measurement of methyl 13C T1. It is a 2D 1H-13C HSQC-type experiment. |
| Reference | Zhang, Xu; Sui, Xiaogang; Yang, Daiwen. Probing methyl dynamics from 13C auto- and cross-correlated relaxation, Journal of the American Chemical Society(2006), 128(15):5073- 5081 |
| Download | CH3C T1 |
| 10 | 3D TROSY HNCA ( for fully protonated samples ) |
| Description | Using 3D TROSY-HNCA, 3D MQ-(H)CCH-TOCSY & 4D 13C,15N-edited NOESY, one can assign backbone & sidechain resonances of large proteins without deuteration. |
| Reference | Xu, Yingqi; Zheng, Yu; Fan, Jing-song; Yang, Daiwen. A novel strategy for structure determination of large proteins without deuteration, Nature Methods(2006),3(11): 931-937. |
| Download | trosy hnca h |
| 11 | 3D TROSY HN(CO)CA ( for fully protonated samples ) |
| Description | Using 3D TROSY-HN(CO)CA together with TROSY-HNCA, 3D MQ-(H)CCH-TOCSY & 4D 13C,15N-edited NOESY, one can assign backbone & sidechain resonances of large proteins without deuteration |
| Reference | Xu, Yingqi; Zheng, Yu; Fan, Jing-song; Yang, Daiwen. A novel strategy for structure determination of large proteins without deuteration, Nature Methods(2006),3(11): 931-937 |
| Download | trosyhncoca_h |
| 12 | 4D time-shared NOESY |
| Description | Four 4D NOESY spectra: 15N,15N-edited, 15N,13C-edited, 13C-15N-edited and 13C,13C-edited NOESY are recorded simultaneously in a single experiment. It can be applied to small and large 13C,15N-labeled proteins. |
| Reference | Xu, Yingqi; Long, Dong; Yang, Daiwen. Rapid data collection for protein structure determination by NMR spectroscopy, Journal of the American Chemical Society (2007), 129(25): 7722-7723. |
| Download | noesy4d |