2ATB
Triple mutant 8D9D10V of scorpion toxin LQH-alpha-IT
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 | 2003-12-10 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.933 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 70.907, 70.907, 170.681 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.600 |
| R-factor | 0.129 |
| Rwork | 0.127 |
| R-free | 0.17000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2asc |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.306 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.510 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.093 | 0.722 |
| Number of reflections | 29230 | |
| <I/σ(I)> | 2.3 | |
| Completeness [%] | 99.9 | 99.5 |
| Redundancy | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 0.01M Cobaltous Chlorid hexahydrate, 0.1M Sodium Acetate trihydrate, 1M of 1,6 Hexnediol, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
