1YNK
Identification of Key residues of the NC6.8 Fab antibody fragment binding to synthetic sweeteners: Crystal structure of NC6.8 co-crystalized with high potency sweetener compound SC45647
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-09-20 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 135.600, 48.190, 75.350 |
| Unit cell angles | 90.00, 109.04, 90.00 |
Refinement procedure
| Resolution | 23.640 - 2.100 |
| R-factor | 0.216 |
| Rwork | 0.213 |
| R-free | 0.27700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cgs |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.459 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SnB |
| Refinement software | REFMAC (5.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.640 | |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.322 | |
| Number of reflections | 24844 | |
| <I/σ(I)> | 8.8 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 9.2 | 291 | 50 mM potassium hydrogen phosphate, 20% polyethylene glycol, pH 9.2, EVAPORATION, temperature 18C, pH 9.20, temperature 291K |
