1YYN
A common binding site for disialyllactose and a tri-peptide in the C-fragment of tetanus neurotoxin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-05-12 |
| Detector | Brandeis B4 |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.907, 78.930, 90.977 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.470 - 2.300 |
| R-factor | 0.255 |
| Rwork | 0.255 |
| R-free | 0.28800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1af9 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.400 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 22793 | |
| <I/σ(I)> | 14.2 | 16.4 |
| Completeness [%] | 97.0 | 81 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | PEG 4000, imidazol, MgCl2, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
