1FV3
THE HC FRAGMENT OF TETANUS TOXIN COMPLEXED WITH AN ANALOGUE OF ITS GANGLIOSIDE RECEPTOR GT1B
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID13 |
Synchrotron site | ESRF |
Beamline | ID13 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1999-04-23 |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 91.311, 53.068, 118.278 |
Unit cell angles | 90.00, 89.78, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.300 |
R-factor | 0.239 |
Rwork | 0.237 |
R-free | 0.30600 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.173 | 0.970 |
Total number of observations | 166764 * | |
Number of reflections | 49658 | |
<I/σ(I)> | 3.2 | |
Completeness [%] | 98.3 | 98.3 |
Redundancy | 3.4 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | other * | 8.5 | 293 | 20% Polyethylene glycol 8000, sodium-potassium phosphate, TRIS, imidazole, sodium chloride, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 2.8 (mg/ml) | |
2 | 1 | reservoir | PEG4000 | 20 (%) | |
3 | 1 | reservoir | imidazole-malate | 0.2 (M) | pH7.0 |
4 | 1 | reservoir | Tris | 0.1 (M) | pH8.5 |