2KBO
Structure, interaction, and real-time monitoring of the enzymatic reaction of wild type APOBEC3G
SOLUTION NMR
NMR Experiment | ||||||||
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Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
1 | 3D 1H-15N NOESY | 0.3mM [U-100% 13C; U-100% 15N] APOBEC3G-1 | 90% H2O/10% D2O | 30 | 7.5 | ambient | 303 | |
2 | 3D 1H-13C NOESY | 0.3mM [U-100% 13C; U-100% 15N] APOBEC3G-1 | 90% H2O/10% D2O | 30 | 7.5 | ambient | 303 | |
3 | 2D 1H-15N HSQC | 0.3mM [U-100% 13C; U-100% 15N] APOBEC3G-1 | 90% H2O/10% D2O | 30 | 7.5 | ambient | 303 | |
4 | 2D 1H-13C HSQC | 0.3mM [U-100% 13C; U-100% 15N] APOBEC3G-1 | 90% H2O/10% D2O | 30 | 7.5 | ambient | 303 | |
5 | 3D CBCA(CO)NH | 0.3mM [U-100% 13C; U-100% 15N] APOBEC3G-1 | 90% H2O/10% D2O | 30 | 7.5 | ambient | 303 | |
6 | 3D C(CO)NH | 0.3mM [U-100% 13C; U-100% 15N] APOBEC3G-1 | 90% H2O/10% D2O | 30 | 7.5 | ambient | 303 | |
7 | 3D HNCO | 0.3mM [U-100% 13C; U-100% 15N] APOBEC3G-1 | 90% H2O/10% D2O | 30 | 7.5 | ambient | 303 | |
8 | 3D HNCA | 0.3mM [U-100% 13C; U-100% 15N] APOBEC3G-1 | 90% H2O/10% D2O | 30 | 7.5 | ambient | 303 | |
9 | 3D HNCACB | 0.3mM [U-100% 13C; U-100% 15N] APOBEC3G-1 | 90% H2O/10% D2O | 30 | 7.5 | ambient | 303 | |
10 | 3D HN(CO)CA | 0.3mM [U-100% 13C; U-100% 15N] APOBEC3G-1 | 90% H2O/10% D2O | 30 | 7.5 | ambient | 303 |
NMR Spectrometer Information | |||
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Spectrometer | Manufacturer | Model | Field Strength |
1 | Bruker | DRX | 800 |
2 | Bruker | DRX | 600 |
NMR Refinement | ||
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Method | Details | Software |
simulated annealing | NMRPipe |
NMR Ensemble Information | |
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Conformer Selection Criteria | structures with the lowest energy |
Conformers Calculated Total Number | 200 |
Conformers Submitted Total Number | 10 |
Representative Model | 1 (lowest energy) |
Computation: NMR Software | ||||
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# | Classification | Version | Software Name | Author |
1 | processing | NMRPipe | 97.027.12.56 | Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax |
2 | data analysis | NMRDraw | 2.4 | Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax |
3 | collection | XwinNMR | 3.5 | Bruker Biospin |
4 | data analysis | KUJIRA | 0.9820 | Naohiro Kobayashi |
5 | chemical shift assignment | KUJIRA | 0.9820 | Naohiro Kobayashi |
6 | structure solution | X-PLOR NIH | 2.20 | Schwieters, Kuszewski, Tjandra and Clore |
7 | refinement | X-PLOR NIH | 2.20 | Schwieters, Kuszewski, Tjandra and Clore |