1GKG
Structure Determination and Rational Mutagenesis reveal binding surface of immune adherence receptor, CR1 (CD35)
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D EXPERIMENTS:15N-HSQC | 20MM NACL | 6.0 | 1 atm | 310 | |||
| 2 | 13C-HSQC | 20MM NACL | 6.0 | 1 atm | 310 | |||
| 3 | 3D HNCACB | 20MM NACL | 6.0 | 1 atm | 310 | |||
| 4 | CBCA(CO)NH | 20MM NACL | 6.0 | 1 atm | 310 | |||
| 5 | HNCO | 20MM NACL | 6.0 | 1 atm | 310 | |||
| 6 | HN(CA)CO | 20MM NACL | 6.0 | 1 atm | 310 | |||
| 7 | HCCH-TOCSY | 20MM NACL | 6.0 | 1 atm | 310 | |||
| 8 | 13C-EDITED NOESY | 20MM NACL | 6.0 | 1 atm | 310 | |||
| 9 | 15N-EDITED NOESY | 20MM NACL | 6.0 | 1 atm | 310 | |||
| 10 | (HB)CB(CGCDCE)HE | 20MM NACL | 6.0 | 1 atm | 310 | |||
| 11 | (HB)CB(CGCD)HD | 20MM NACL | 6.0 | 1 atm | 310 | |||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | INOVA | 600 |
| 2 | Bruker | DRX | 800 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| MOLECULAR DYNAMICS SIMULATED ANNEALING | REFINEMENT DETAILS CAN BE FOUND IN THE JRNL CITATION ABOVE | CNS |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | LOWEST ENERGY |
| Conformers Calculated Total Number | 120 |
| Conformers Submitted Total Number | 24 |
| Representative Model | 1 (n/a) |
| Additional NMR Experimental Information | |
|---|---|
| Details | THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR SPECTROSCOPY ON 13C, 15N-LABELED PROTEIN |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | CNS | 1.0 | A.T.BRUNGER, P.D.ADAMS, G.M.CLORE, W.L.DELANO, P.GROS, R.W.GROSSE-KUNSTLEVE,J.-S.JIANG, J.KUSZEWSKI, M.NILGES, N.S.PANNU, R.J.READ, L.M.RICE, T.SIMONSON,G.L.WARREN |
| 2 | structure solution | CNS | 1.0 | |
