2ASC
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 | F 4 3 2 |
| Unit cell lengths | 129.714, 129.714, 129.714 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.100 |
| R-factor | 0.13082 |
| Rwork | 0.130 |
| R-free | 0.13794 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1seg |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.771 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | BEAST |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 74.950 | 40.000 | 1.120 |
| High resolution limit [Å] | 1.100 | 2.990 | 1.100 |
| Rmerge | 0.067 | 0.043 | |
| Number of reflections | 38414 | ||
| <I/σ(I)> | 40.1 | ||
| Completeness [%] | 99.9 | 99.6 | 99.4 |
| Redundancy | 28.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.01M Hexadecyltrimethylammonium Bromide, 0.5M NaCl, 0.01M MgCl, 0.01M MgCl, pH 7.5, vapor diffusion, hanging drop, temperature 293K |
