1BCG
SCORPION TOXIN BJXTR-IT
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-10 |
| Detector | RIGAKU RAXIS II |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 40.828, 40.828, 191.360 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.100 |
| R-factor | 0.209 |
| Rwork | 0.209 |
| R-free | 0.25600 |
| Structure solution method | SIRAS |
| RMSD bond length | 0.006 |
| RMSD bond angle | 20.900 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS (0.3) |
| Refinement software | CNS (0.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.055 | 0.246 |
| Total number of observations | 87867 * | |
| Number of reflections | 4927 | |
| <I/σ(I)> | 32 | 8.5 |
| Completeness [%] | 96.2 | 79.8 |
| Redundancy | 7.5 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.5 | 21 * | pH 6.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5 (mg/ml) | |
| 2 | 1 | drop | HEPES | 5 (mM) | pH7.0 |
| 3 | 1 | drop | MES | 0.05 (M) | pH6.5 |
| 4 | 1 | drop | dioxane | 5 (%) | |
| 5 | 1 | drop | ammonium sulfate | 0.8 (M) | |
| 6 | 1 | reservoir | MES | 0.1 (M) | |
| 7 | 1 | reservoir | dioxane | 10 (%) | |
| 8 | 1 | reservoir | ammonium sulfate | 1.6 (M) |
