1D0H
THE HC FRAGMENT OF TETANUS TOXIN COMPLEXED WITH N-ACETYL-GALACTOSAMINE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.6 |
| Synchrotron site | SRS |
| Beamline | PX9.6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1998-09-16 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.076, 70.882, 122.238 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.100 |
| R-factor | 0.204 * |
| Rwork | 0.204 |
| R-free | 0.27000 |
| Structure solution method | PHASES FROM ISOMORPHOUS STRUCTURE, THE HC-LACTOSE COMPLEX |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.031 |
| Data scaling software | CCP4 ((SCALA)) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.190 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.136 | 0.665 |
| Total number of observations | 238621 * | |
| Number of reflections | 34754 | |
| <I/σ(I)> | 4.6 | |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 6.6 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 7 | pH 7.00 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 3 (mg/ml) | |
| 2 | 1 | drop | imidazole | 20 (mM) | |
| 3 | 1 | drop | 100 (mM) | ||
| 4 | 1 | reservoir | ammonium sulfate | 200 (mM) | |
| 5 | 1 | reservoir | PEG4000 | 40 (%(w/v)) | |
| 6 | 1 | reservoir | MPD | 1 (%(v/v)) |
