2I61
Depressant anti-insect neurotoxin, LqhIT2 from Leiurus quinquestriatus hebraeus
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 | 2002-12-16 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0052 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 19.660, 51.423, 28.917 |
| Unit cell angles | 90.00, 107.75, 90.00 |
Refinement procedure
| Resolution | 27.540 - 1.200 |
| R-factor | 0.097 |
| Rwork | 0.096 |
| R-free | 0.12000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2sn3 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.659 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.220 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.038 | 0.046 |
| Number of reflections | 16312 | |
| <I/σ(I)> | 43.63 | 22.77 |
| Completeness [%] | 94.7 | 90.5 |
| Redundancy | 3.1 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 292 | protein concentration 8mg/ml, precepitant 1.5 M LiSO4, buffer 0.1 M NA, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
