Table 1.
a) 3D 15N-dispersed NOESY: The spectrum was recorded on 0.8 mM sample of the M50 protein (19.4 kDa), sampling density 6% (2,400 of 40,000 complex points), measured on a Bruker Avance 800. FM reconstruction (500 iterations) on a Cuda computer using 4 Nvidia GPU cards was achieved in 1.5 days. IST reconstruction on a 128 cpu cluster was obtained in 3 min. | |||
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Dimension | Spectral width (Hz) | Number of complex points | Maximal evolution time (ms) |
F1 1H | 9,606.148 | 400 | 41.62 |
F2 15N | 2,000.00 | 100 | 50.00 |
F3 1H | 9,765.6 | 1024 | 104.8 |
b) 4D 13C dispersed methyl-methyl NOESY (150 ms mixing time): The spectrum was recorded on a 1 mM sample of the Med25 complex with the transactivation domain of VP16 (28 kDa), sampling density 14.5%. Recorded on a Bruker Avance 750 with four scans per FID and a total measuring time of 7.5 days. FM reconstruction on one cube took 13 hrs on a Cuda computer using 4 Nvidia GPU cards. IST reconstruction of one cube on a single 32 Xeon cpu required 30 min, and all 339 cubes were reconstructed in 1.5 hrs on a cluster of 128 cpus. | |||
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Dimension | Spectral width (Hz) | Number of complex points | Maximal evolution time (ms) |
F1 1H | 1,650 | 28 | 17 |
F2 13C | 3,300 | 44 | 13 |
F3 13C | 3,300 | 96 | 29 |
F4 1H | 10,000 | 768 | 77 |
c) High-resolution 4D 13C dispersed methyl-methyl NOESY (120 ms mixing time): The spectrum was recorded on a 0.9 mM sample of a 10 kDa protein G construct containing the B1 domain with a sampling density of 0.8% (10,906 of 1,350,000 complex points), measured on a Bruker AMX 500 with four scans per FID and a total measuring time of 5 days. IST reconstruction was achieved in one day on a cluster of 128 cpus. | |||
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Dimension | Spectral width (Hz) | Number of complex points | Maximal evolution time (ms) |
F1 1H | 500.1 | 60 | 118 |
F2 13C | 1,257.6 | 150 | 118.4 |
F3 13C | 1,257.6 | 150 | 118.8 |
F4 1H | 6666.7 | 1024 | 154 |