Structure of the endothelial monocyte activating polypeptide II (EMAP II) in solution
SOLUTION NMR - SOLUTION SCATTERING
NMR Experiment |
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Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
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1 | 2D 1H-15N HSQC | 0.7 mM [U-13C; U-15N] EMAP II | 90% H2O/10% D2O | 50 mM | 8.0 | 1 bar | 298 | Agilent VNMRS 800 |
2 | 3D HNCO | 0.7 mM [U-13C; U-15N] EMAP II | 90% H2O/10% D2O | 50 mM | 8.0 | 1 bar | 298 | Agilent VNMRS 800 |
3 | 3D HN(CO)CA | 0.7 mM [U-13C; U-15N] EMAP II | 90% H2O/10% D2O | 50 mM | 8.0 | 1 bar | 298 | Agilent VNMRS 800 |
4 | 3D HNCA | 0.7 mM [U-13C; U-15N] EMAP II | 90% H2O/10% D2O | 50 mM | 8.0 | 1 bar | 298 | Agilent VNMRS 800 |
5 | 3D CBCA(CO)NH | 0.7 mM [U-13C; U-15N] EMAP II | 90% H2O/10% D2O | 50 mM | 8.0 | 1 bar | 298 | Agilent VNMRS 800 |
6 | 3D HNCACB | 0.7 mM [U-13C; U-15N] EMAP II | 90% H2O/10% D2O | 50 mM | 8.0 | 1 bar | 298 | Agilent VNMRS 800 |
7 | 4D HNCOCA NUS | 0.7 mM [U-13C; U-15N] EMAP II | 90% H2O/10% D2O | 50 mM | 8.0 | 1 bar | 298 | Agilent VNMRS 700 |
8 | 4D HNCACO NUS | 0.7 mM [U-13C; U-15N] EMAP II | 90% H2O/10% D2O | 50 mM | 8.0 | 1 bar | 298 | Agilent VNMRS 700 |
9 | 4D HCCH-TOCSY | 0.7 mM [U-13C; U-15N] EMAP II | 90% H2O/10% D2O | 50 mM | 8.0 | 1 bar | 298 | Agilent VNMRS 700 |
10 | 3D 1H-15N NOESY | 0.7 mM [U-13C; U-15N] EMAP II | 90% H2O/10% D2O | 50 mM | 8.0 | 1 bar | 298 | Agilent VNMRS 800 |
11 | 3D 1H-13C NOESY aliphatic | 0.7 mM [U-13C; U-15N] EMAP II | 90% H2O/10% D2O | 50 mM | 8.0 | 1 bar | 298 | Agilent VNMRS 800 |
12 | 3D C(CO)NH | 0.7 mM [U-13C; U-15N] EMAP II | 90% H2O/10% D2O | 50 mM | 8.0 | 1 bar | 298 | Agilent VNMRS 800 |
13 | 3D HCCH-TOCSY | 0.7 mM [U-13C; U-15N] EMAP II | 90% H2O/10% D2O | 50 mM | 8.0 | 1 bar | 298 | Varian INOVA 500 |
NMR Spectrometer Information |
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Spectrometer | Manufacturer | Model | Field Strength |
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1 | Agilent | VNMRS | 800 |
3 | Agilent | VNMRS | 700 |
2 | Varian | INOVA | 500 |
NMR Refinement |
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Method | Details | Software |
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molecular dynamics | molecular dynamic in water box | VnmrJ |
NMR Ensemble Information |
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Conformer Selection Criteria | structures with the lowest energy |
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Conformers Calculated Total Number | 200 |
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Conformers Submitted Total Number | 19 |
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Representative Model | 1 (lowest energy) |
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Computation: NMR Software |
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# | Classification | Version | Software Name | Author |
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1 | collection | VnmrJ | | Agilent Inc. |
2 | processing | NMRPipe | | Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax |
3 | chemical shift assignment | NMRFAM-SPARKY | | Lee W, Tonelli M & Markley JL |
4 | structure calculation | CYANA | | Guntert, Mumenthaler and Wuthrich |
5 | refinement | YASARA | | Krieger E, KoraimannG & VriendG |
6 | peak picking | NMRFAM-SPARKY | | Lee W, Tonelli M & Markley JL |