1YNL
Identification of Key residues of the NC6.8 Fab antibody fragment binding to synthetic sweeterners: 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 |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 136.226, 48.140, 76.090 |
Unit cell angles | 90.00, 109.53, 90.00 |
Refinement procedure
Resolution | 23.300 - 1.700 |
R-factor | 0.20848 |
Rwork | 0.207 |
R-free | 0.24076 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.828 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 23.250 | 1.750 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 43252 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 9.2 | 291 | 50 mM potassium hydrogen phosphate, 20% polyethylene glycol, pH 9.2, EVAPORATION, temperature 18K |