1K2A
Modified Form of Eosinophil-derived Neurotoxin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9B |
| Synchrotron site | NSLS |
| Beamline | X9B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-06-15 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9800 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.138, 52.558, 56.627 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.000 |
| R-factor | 0.132 * |
| Rwork | 0.132 |
| R-free | 0.16900 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.036 |
| RMSD bond angle | 0.047 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.040 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Rmerge | 0.026 * | 0.201 * |
| Total number of observations | 495612 * | |
| Number of reflections | 62494 | |
| Completeness [%] | 90.9 | 76.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 22 * | Na cacodylate, PEG 8K, ammonium sulfate, glycerol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | enzyme | 20 (mg/ml) | |
| 2 | 1 | reservoir | sodium cacodylate | 100 (mM) | pH6.5 |
| 3 | 1 | reservoir | PEG8000 | 12-16 (%(w/v)) | |
| 4 | 1 | reservoir | ammonium sulfate | 150-200 (mM) | |
| 5 | 1 | reservoir | glycerol | 12 (%(v/v)) |
