1DQ7
THREE-DIMENSIONAL STRUCTURE OF A NEUROTOXIN FROM RED SCORPION (BUTHUS TAMULUS) AT 2.2A RESOLUTION.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-06-08 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.871, 21.001, 52.451 |
| Unit cell angles | 90.00, 94.45, 90.00 |
Refinement procedure
| Resolution | 14.920 - 2.200 |
| R-factor | 0.201 |
| Rwork | 0.201 |
| R-free | 0.27600 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (0.9) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.121 | 0.186 |
| Number of reflections | 5166 | |
| <I/σ(I)> | 8.2 | |
| Completeness [%] | 87.7 | 59.3 |
| Redundancy | 12.5 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | Protein Concentration 7.5mg/ml, Buffer Tris-Hcl 25mM, Percipitant 82% MPD, Additive 0.001 Cacl2, pH 7.2, VAPOR DIFFUSION, SITTING DROP |
