1SEG
Crystal structure of a toxin chimera between Lqh-alpha-IT from the scorpion Leiurus quinquestriatus hebraeus and AAH2 from Androctonus australis hector
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-12-12 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.003 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 74.523, 74.523, 56.973 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.700 - 1.300 |
| R-factor | 0.15472 |
| Rwork | 0.153 |
| R-free | 0.17802 |
| Structure solution method | MIR |
| Starting model (for MR) | 1aho |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.686 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.700 | 1.350 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.041 | 0.252 |
| Number of reflections | 19554 | |
| <I/σ(I)> | 25.9 | 5.1 |
| Completeness [%] | 97.6 | 88.7 |
| Redundancy | 12 | 12 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 296 | 100mM trisodium citrate dihydrate, 1M mono-ammonium dihydrogen phosphate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 296K |
