1DFQ
THE HC FRAGMENT OF TETANUS TOXIN COMPLEXED WITH SIALIC ACID
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 | 1999-02-14 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.860, 70.240, 122.520 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.600 |
R-factor | 0.2 |
Rwork | 0.200 |
R-free | 0.31300 |
RMSD bond length | 0.042 * |
RMSD bond angle | 0.008 * |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.089 | 0.820 * |
Total number of observations | 35496 * | |
Number of reflections | 15003 | |
<I/σ(I)> | 7.9 | |
Completeness [%] | 82.0 | 82 |
Redundancy | 1.9 * | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 295 | IMIDAZOLE, SODIUM CHLORIDE, AMMONIUM SULFATE, PEG4000, 2-METHYL-2,4-PENTANE-DIOL, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
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)) |